[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;(4-cycloheptylphenyl)-diphenylsulfanium;diphenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;tris[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium

C136H152S4+4 — CID 163486416

IUPAC[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;(4-cycloheptylphenyl)-diphenylsulfanium;diphenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;tris[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium
SMILESc1cc([S+](c2ccc(C3CC4CC3C3CCCC43)cc2)c2ccc(C3CC4CC3C3CCCC43)cc2)ccc1C1CC2CC1C1CCCC21.c1ccc([S+](c2ccc(C3CC4CCC3C4)cc2)c2ccc(C3CC4CC3C3CCCC43)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CC4CC3C3CCCC43)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCCC3)cc2)cc1
InChIInChI=1S/C48H57S.C35H39S.C28H29S.C25H27S/c1-4-37-31-22-43(46(25-31)40(37)7-1)28-10-16-34(17-11-28)49(35-18-12-29(13-19-35)44-23-32-26-47(44)41-8-2-5-38(32)41)36-20-14-30(15-21-36)45-24-33-27-48(45)42-9-3-6-39(33)42;1-2-5-28(6-3-1)36(29-15-11-24(12-16-29)33-20-23-9-10-26(33)19-23)30-17-13-25(14-18-30)34-21-27-22-35(34)32-8-4-7-31(27)32;1-3-8-22(9-4-1)29(23-10-5-2-6-11-23)24-16-14-20(15-17-24)27-18-21-19-28(27)26-13-7-12-25(21)26;1-2-6-12-21(11-5-1)22-17-19-25(20-18-22)26(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h10-21,31-33,37-48H,1-9,22-27H2;1-3,5-6,11-18,23,26-27,31-35H,4,7-10,19-22H2;1-6,8-11,14-17,21,25-28H,7,12-13,18-19H2;3-4,7-10,13-21H,1-2,5-6,11-12H2/q4*+1
InChIKeyCIXVSLDBHPJESS-UHFFFAOYSA-N
MW1914.98 g/mol
LogP36.17
Rot. Bonds19

About [4-(2-bicyclo[2.2.1]heptanyl)phenyl]-phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;(4-cycloheptylphenyl)-diphenylsulfanium;diphenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;tris[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium

[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;(4-cycloheptylphenyl)-diphenylsulfanium;diphenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;tris[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium (PubChem CID 163486416) has the molecular formula C136H152S4+4 and a molecular weight of 1914.98 g/mol. Its IUPAC name is [4-(2-bicyclo[2.2.1]heptanyl)phenyl]-phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;(4-cycloheptylphenyl)-diphenylsulfanium;diphenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;tris[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium.

Molecular Properties

Compound Name[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;(4-cycloheptylphenyl)-diphenylsulfanium;diphenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;tris[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium
PubChem CID163486416
Molecular FormulaC136H152S4+4
Molecular Weight1914.98 g/mol
Exact Mass1913.08
IUPAC Name[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;(4-cycloheptylphenyl)-diphenylsulfanium;diphenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;tris[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium
SMILESc1cc([S+](c2ccc(C3CC4CC3C3CCCC43)cc2)c2ccc(C3CC4CC3C3CCCC43)cc2)ccc1C1CC2CC1C1CCCC21.c1ccc([S+](c2ccc(C3CC4CCC3C4)cc2)c2ccc(C3CC4CC3C3CCCC43)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CC4CC3C3CCCC43)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCCC3)cc2)cc1
InChIInChI=1S/C48H57S.C35H39S.C28H29S.C25H27S/c1-4-37-31-22-43(46(25-31)40(37)7-1)28-10-16-34(17-11-28)49(35-18-12-29(13-19-35)44-23-32-26-47(44)41-8-2-5-38(32)41)36-20-14-30(15-21-36)45-24-33-27-48(45)42-9-3-6-39(33)42;1-2-5-28(6-3-1)36(29-15-11-24(12-16-29)33-20-23-9-10-26(33)19-23)30-17-13-25(14-18-30)34-21-27-22-35(34)32-8-4-7-31(27)32;1-3-8-22(9-4-1)29(23-10-5-2-6-11-23)24-16-14-20(15-17-24)27-18-21-19-28(27)26-13-7-12-25(21)26;1-2-6-12-21(11-5-1)22-17-19-25(20-18-22)26(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h10-21,31-33,37-48H,1-9,22-27H2;1-3,5-6,11-18,23,26-27,31-35H,4,7-10,19-22H2;1-6,8-11,14-17,21,25-28H,7,12-13,18-19H2;3-4,7-10,13-21H,1-2,5-6,11-12H2/q4*+1
InChIKeyCIXVSLDBHPJESS-UHFFFAOYSA-N
XLogP36.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001914.98
LogP ≤ 536.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze [4-(2-bicyclo[2.2.1]heptanyl)phenyl]-phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;(4-cycloheptylphenyl)-diphenylsulfanium;diphenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;tris[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium with MolForge

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Related Compounds

4-(2,2-Difluoroethyl)tetracyclo[6.2.1.13,6.02,7]dodecane;bis(triphenylsulfanium)
CID 159391182
Tris[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium
CID 140816172
Diphenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium
CID 140816189
[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)phenyl]-phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium
CID 140816193
Chloro-diphenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]-lambda4-sulfane
CID 140816227
Phenyl-bis[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium
CID 140821719
Phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]-[4-(9-tricyclo[5.2.1.01,5]decanyl)phenyl]sulfanium
CID 140821730
Bis(4-cyclohexylphenyl)-[4-[3-[8-[4-[phenyl-[3-[8-[4-[phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]phenyl]sulfonio]phenyl]-4-tricyclo[5.2.1.02,6]decanyl]cyclohexyl]phenyl]sulfanium
CID 146204637
[4-(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)phenyl]-bis[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium
CID 153475414
(4-Cyclooctylphenyl)-diphenylsulfanium;phenyl-bis[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;tris[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium
CID 157684727
[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)phenyl]-phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;bis(4-cyclooctylphenyl)-phenylsulfanium;(4-cyclooctylphenyl)-diphenylsulfanium;tris[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium
CID 157724580
[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)phenyl]-phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;diphenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;tris(4-cyclohexylphenyl)sulfanium;tris[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium
CID 158002663

Frequently Asked Questions

What is the IUPAC name of [4-(2-bicyclo[2.2.1]heptanyl)phenyl]-phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;(4-cycloheptylphenyl)-diphenylsulfanium;diphenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;tris[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium?
The IUPAC name of [4-(2-bicyclo[2.2.1]heptanyl)phenyl]-phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;(4-cycloheptylphenyl)-diphenylsulfanium;diphenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;tris[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium (CID 163486416) is [4-(2-bicyclo[2.2.1]heptanyl)phenyl]-phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;(4-cycloheptylphenyl)-diphenylsulfanium;diphenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;tris[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium.
What is the SMILES notation for [4-(2-bicyclo[2.2.1]heptanyl)phenyl]-phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;(4-cycloheptylphenyl)-diphenylsulfanium;diphenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;tris[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium?
The canonical SMILES for [4-(2-bicyclo[2.2.1]heptanyl)phenyl]-phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;(4-cycloheptylphenyl)-diphenylsulfanium;diphenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;tris[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium is c1cc([S+](c2ccc(C3CC4CC3C3CCCC43)cc2)c2ccc(C3CC4CC3C3CCCC43)cc2)ccc1C1CC2CC1C1CCCC21.c1ccc([S+](c2ccc(C3CC4CCC3C4)cc2)c2ccc(C3CC4CC3C3CCCC43)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CC4CC3C3CCCC43)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCCC3)cc2)cc1.
What is the InChIKey of [4-(2-bicyclo[2.2.1]heptanyl)phenyl]-phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;(4-cycloheptylphenyl)-diphenylsulfanium;diphenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;tris[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium?
The InChIKey is CIXVSLDBHPJESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H57S.C35H39S.C28H29S.C25H27S/c1-4-37-31-22-43(46(25-31)40(37)7-1)28-10-16-34(17-11-28)49(35-18-12-29(13-19-35)44-23-32-26-47(44)41-8-2-5-38(32)41)36-20-14-30(15-21-36)45-24-33-27-48(45)42-9-3-6-39(33)42;1-2-5-28(6-3-1)36(29-15-11-24(12-16-29)33-20-23-9-10-26(33)19-23)30-17-13-25(14-18-30)34-21-27-22-35(34)32-8-4-7-31(27)32;1-3-8-22(9-4-1)29(23-10-5-2-6-11-23)24-16-14-20(15-17-24)27-18-21-19-28(27)26-13-7-12-25(21)26;1-2-6-12-21(11-5-1)22-17-19-25(20-18-22)26(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h10-21,31-33,37-48H,1-9,22-27H2;1-3,5-6,11-18,23,26-27,31-35H,4,7-10,19-22H2;1-6,8-11,14-17,21,25-28H,7,12-13,18-19H2;3-4,7-10,13-21H,1-2,5-6,11-12H2/q4*+1.
What are the key properties of [4-(2-bicyclo[2.2.1]heptanyl)phenyl]-phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;(4-cycloheptylphenyl)-diphenylsulfanium;diphenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;tris[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium?
[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;(4-cycloheptylphenyl)-diphenylsulfanium;diphenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;tris[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium has a molecular weight of 1914.98 g/mol, XLogP of 36.17, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bicyclo[2.2.1]heptanyl)phenyl]-phenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;(4-cycloheptylphenyl)-diphenylsulfanium;diphenyl-[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium;tris[4-(8-tricyclo[5.2.1.02,6]decanyl)phenyl]sulfanium is sourced from PubChem (CID 163486416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).