Mrv1652306031607522D          

 47 54  0  0  0  0            999 V2000
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    5.0771    1.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6665   -1.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5744   -0.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7173    2.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2344    3.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0386    4.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1138    4.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6964   -1.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4512   -1.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3685    1.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3557    0.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3084    2.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899    3.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9330   -0.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9516    0.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1058    1.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2479    3.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8786    0.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5979    1.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3914    2.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5679    2.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8956   -0.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5979    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8203    2.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6604    3.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2991   -0.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7729    1.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1058    3.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8979    3.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3160   -1.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7729    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3914    2.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6604    2.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6769    0.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8203    2.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4854    3.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5178   -1.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8420    1.8088    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.5232    1.8594    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3227    0.8053    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7632    0.9440    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6904    1.5642    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 22  2  1  0  0  0  0
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M  END
> <DATABASE_ID>
CHEM044209

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1=C(CC2CC1C2(C)C)SP(=S)(SP(=S)(SC1=C(C)C2CC(C1)C2(C)C)C1=C(C)C2CC(C1)C2(C)C)C1=C(C)C2CC(C1)C2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C40H60P2S5/c1-21-29-13-25(37(29,5)6)17-33(21)41(43,45-35-19-27-15-31(23(35)3)39(27,9)10)47-42(44,34-18-26-14-30(22(34)2)38(26,7)8)46-36-20-28-16-32(24(36)4)40(28,11)12/h25-32H,13-20H2,1-12H3

> <INCHI_KEY>
ZZMOHCWFHCHISQ-UHFFFAOYSA-N

> <FORMULA>
C40H60P2S5

> <MOLECULAR_WEIGHT>
763.17

> <EXACT_MASS>
762.277381798

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
107

> <JCHEM_AVERAGE_POLARIZABILITY>
87.01011623582292

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[sulfanylidene({2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-yl})({2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-yl}sulfanyl)-lambda5-phosphanyl]sulfanyl}({2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-yl})({2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-yl}sulfanyl)-lambda5-phosphanethione

> <ALOGPS_LOGP>
7.78

> <JCHEM_LOGP>
9.881681492666667

> <ALOGPS_LOGS>
-6.96

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
227.5875999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.42e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{[sulfanylidene({2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-yl})({2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-yl}sulfanyl)-lambda5-phosphanyl]sulfanyl}({2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-yl})({2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-yl}sulfanyl)-lambda5-phosphanethione

> <JCHEM_VEBER_RULE>
1

> <NAME>
tetrakis({2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-yl})diphosphathiane-2,4-dithione

$$$$