119185
  -OEChem-08092309012D

 88 93  0     0  0  0  0  0  0999 V2000
    5.4558   -0.9315    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    6.7734    0.1928    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    6.4391   -0.7497    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7901    0.0111    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8701   -2.4527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9262    0.0318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7652   -1.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4680    1.8119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0108   -1.5935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7652    1.1927    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    5.8987    0.9850    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    5.0883    1.7862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4642   -1.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6022   -2.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8067   -0.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5190   -1.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8784   -3.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5258   -0.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3328   -2.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7471   -0.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5861   -1.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5516    0.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2750   -2.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7471    0.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9443   -1.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4680   -1.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2812    2.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9015   -0.4585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2750    2.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9015    0.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5861    2.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7833   -0.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9443    2.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7833    0.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4289   -1.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8617   -3.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4805    1.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7461   -3.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8066    3.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0525   -0.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7943    3.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0525    1.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3579   -0.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3328   -4.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3837    0.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2750   -4.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3260    4.4577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2034   -0.4585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3198    4.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2034    0.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6810   -2.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0738   -1.8187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2076   -2.9168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0047   -2.9102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1266   -1.4674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3296   -1.4740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2783    0.2317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4043    0.3010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3350   -0.5731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3021   -0.7004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9381   -1.4981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7358   -1.8621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3056   -1.4203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4606   -1.6542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6944   -2.4992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2584   -3.4579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8835   -4.0727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4984   -3.4476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9103   -2.0797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4138   -1.6810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4817   -3.5675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4956    1.6742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1261   -3.5675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4264    3.5576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0525   -1.5687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1745    3.6409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0525    1.6321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8871   -0.8776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6428   -5.0204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9280    0.7999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9650   -5.0204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6496    4.9865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6665   -0.7685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0236    5.0282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6665    0.8319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2506    0.3166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 13  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  4 88  1  0  0  0  0
  5 15  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 22  1  0  0  0  0
  6 26  2  0  0  0  0
  7 23  2  0  0  0  0
  7 27  1  0  0  0  0
  8 26  1  0  0  0  0
  8 33  2  0  0  0  0
  9 27  2  0  0  0  0
  9 34  1  0  0  0  0
 10 33  1  0  0  0  0
 10 35  1  0  0  0  0
 11 34  1  0  0  0  0
 11 36  1  0  0  0  0
 12 35  2  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 53  1  0  0  0  0
 13 54  1  0  0  0  0
 14 15  1  0  0  0  0
 14 55  1  0  0  0  0
 14 56  1  0  0  0  0
 15 57  1  0  0  0  0
 15 58  1  0  0  0  0
 16 59  1  0  0  0  0
 16 60  1  0  0  0  0
 16 61  1  0  0  0  0
 17 62  1  0  0  0  0
 17 63  1  0  0  0  0
 17 64  1  0  0  0  0
 18 65  1  0  0  0  0
 18 66  1  0  0  0  0
 18 67  1  0  0  0  0
 19 68  1  0  0  0  0
 19 69  1  0  0  0  0
 19 70  1  0  0  0  0
 20 22  1  0  0  0  0
 20 24  1  0  0  0  0
 20 37  2  0  0  0  0
 21 23  1  0  0  0  0
 21 25  1  0  0  0  0
 21 38  2  0  0  0  0
 22 28  2  0  0  0  0
 23 28  1  0  0  0  0
 24 26  1  0  0  0  0
 24 39  2  0  0  0  0
 25 27  1  0  0  0  0
 25 40  2  0  0  0  0
 28 71  1  0  0  0  0
 29 31  1  0  0  0  0
 29 33  1  0  0  0  0
 29 41  2  0  0  0  0
 30 32  1  0  0  0  0
 30 34  2  0  0  0  0
 30 42  1  0  0  0  0
 31 35  1  0  0  0  0
 31 43  2  0  0  0  0
 32 36  2  0  0  0  0
 32 44  1  0  0  0  0
 37 45  1  0  0  0  0
 37 72  1  0  0  0  0
 38 46  1  0  0  0  0
 38 73  1  0  0  0  0
 39 47  1  0  0  0  0
 39 74  1  0  0  0  0
 40 48  1  0  0  0  0
 40 75  1  0  0  0  0
 41 49  1  0  0  0  0
 41 76  1  0  0  0  0
 42 50  2  0  0  0  0
 42 77  1  0  0  0  0
 43 51  1  0  0  0  0
 43 78  1  0  0  0  0
 44 52  2  0  0  0  0
 44 79  1  0  0  0  0
 45 47  2  0  0  0  0
 45 80  1  0  0  0  0
 46 48  2  0  0  0  0
 46 81  1  0  0  0  0
 47 82  1  0  0  0  0
 48 83  1  0  0  0  0
 49 51  2  0  0  0  0
 49 84  1  0  0  0  0
 50 52  1  0  0  0  0
 50 85  1  0  0  0  0
 51 86  1  0  0  0  0
 52 87  1  0  0  0  0
M  CHG  5   2   4   3  -1   4  -1  10  -1  11  -1
M  END
> <PUBCHEM_COMPOUND_CID>
119185

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
939

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB/8AwAAAAAAAAAAAAAAAAAAWLFiwAwYMGAAAAAAFgB/gAAHBAACEAADAjBPwRz8P8IEAGgAyZiZACCgCkhAqAJmCA4ZJiIKOLA2dGEJAhogALIyCcQgMAOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[dimethyl(oxido)silyl]-N,N-dimethyl-propan-1-amine;2,11,20,37,38-pentaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene;silicon(4+);hydroxide

> <PUBCHEM_IUPAC_CAS_NAME>
3-[dimethyl(oxido)silyl]-N,N-dimethyl-1-propanamine;2,11,20,37,38-pentaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene;silicon(4+);hydroxide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[dimethyl(oxido)silyl]-<I>N</I>,<I>N</I>-dimethylpropan-1-amine;2,11,20,37,38-pentaza-39,40-diazanidanonacyclo[28.6.1.1<SUP>3,10</SUP>.1<SUP>12,19</SUP>.1<SUP>21,28</SUP>.0<SUP>4,9</SUP>.0<SUP>13,18</SUP>.0<SUP>22,27</SUP>.0<SUP>31,36</SUP>]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene;silicon(4+);hydroxide

> <PUBCHEM_IUPAC_NAME>
3-[dimethyl(oxido)silyl]-N,N-dimethylpropan-1-amine;2,11,20,37,38-pentaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene;silicon(4+);hydroxide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[dimethyl(oxidanidyl)silyl]-N,N-dimethyl-propan-1-amine;2,11,20,37,38-pentaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene;silicon(4+);hydroxide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[dimethyl(oxido)silyl]propyl-dimethyl-amine;2,11,20,37,38-pentaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene;silicon(4+);hydroxide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C33H17N7.C7H18NOSi.H2O.Si/c1-3-11-20-18(9-1)26-17-27-19-10-2-4-12-21(19)29(35-27)37-31-23-14-6-8-16-25(23)33(39-31)40-32-24-15-7-5-13-22(24)30(38-32)36-28(20)34-26;1-8(2)6-5-7-10(3,4)9;;/h1-17H;5-7H2,1-4H3;1H2;/q-2;-1;;+4/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
JACPFCQFVIAGDN-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
716.24997549

> <PUBCHEM_MOLECULAR_FORMULA>
C40H36N8O2Si2

> <PUBCHEM_MOLECULAR_WEIGHT>
716.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)CCC[Si](C)(C)[O-].C1=CC=C2C(=C1)C3=CC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=NC2=N3)[N-]7)C9=CC=CC=C94.[OH-].[Si+4]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)CCC[Si](C)(C)[O-].C1=CC=C2C(=C1)C3=CC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=NC2=N3)[N-]7)C9=CC=CC=C94.[OH-].[Si+4]

> <PUBCHEM_CACTVS_TPSA>
93.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
716.24997549

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
52

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
4

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  33  8
10  35  8
11  34  8
11  36  8
12  35  8
12  36  8
20  24  8
20  37  8
21  25  8
21  38  8
22  28  8
23  28  8
24  39  8
25  40  8
29  31  8
29  33  8
29  41  8
30  32  8
30  34  8
30  42  8
31  35  8
31  43  8
32  36  8
32  44  8
37  45  8
38  46  8
39  47  8
40  48  8
41  49  8
42  50  8
43  51  8
44  52  8
45  47  8
46  48  8
49  51  8
50  52  8
6  22  8
6  26  8
7  23  8
7  27  8
8  26  8
8  33  8
9  27  8
9  34  8

$$$$
