[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

C149H174S4+4 — CID 158002663

IUPAC[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
SMILESc1cc([S+](c2ccc(C3CC4CC3C3CCCC43)cc2)c2ccc(C3CC4CC3C3CCCC43)cc2)ccc1C1CC2CC1C1CCCC21.c1cc([S+](c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)ccc1C1CCCCC1.c1ccc([S+](c2ccc(C3CCC4CCCC4C3)cc2)c2ccc(C3CC4CC3C3CCCC43)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CC4CC3C3CCCC43)cc2)cc1
InChIInChI=1S/C48H57S.C37H43S.C36H45S.C28H29S/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;1-2-8-31(9-3-1)38(32-18-14-26(15-19-32)29-13-12-25-6-4-7-28(25)22-29)33-20-16-27(17-21-33)36-23-30-24-37(36)35-11-5-10-34(30)35;1-4-10-28(11-5-1)31-16-22-34(23-17-31)37(35-24-18-32(19-25-35)29-12-6-2-7-13-29)36-26-20-33(21-27-36)30-14-8-3-9-15-30;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/h10-21,31-33,37-48H,1-9,22-27H2;1-3,8-9,14-21,25,28-30,34-37H,4-7,10-13,22-24H2;16-30H,1-15H2;1-6,8-11,14-17,21,25-28H,7,12-13,18-19H2/q4*+1
InChIKeyFDXNMJJTPGUNSY-UHFFFAOYSA-N
MW2093.30 g/mol
LogP40.65
Rot. Bonds21

About [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

[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 (PubChem CID 158002663) has the molecular formula C149H174S4+4 and a molecular weight of 2093.30 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID158002663
Molecular FormulaC149H174S4+4
Molecular Weight2093.30 g/mol
Exact Mass2091.25
IUPAC Name[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
SMILESc1cc([S+](c2ccc(C3CC4CC3C3CCCC43)cc2)c2ccc(C3CC4CC3C3CCCC43)cc2)ccc1C1CC2CC1C1CCCC21.c1cc([S+](c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)ccc1C1CCCCC1.c1ccc([S+](c2ccc(C3CCC4CCCC4C3)cc2)c2ccc(C3CC4CC3C3CCCC43)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CC4CC3C3CCCC43)cc2)cc1
InChIInChI=1S/C48H57S.C37H43S.C36H45S.C28H29S/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;1-2-8-31(9-3-1)38(32-18-14-26(15-19-32)29-13-12-25-6-4-7-28(25)22-29)33-20-16-27(17-21-33)36-23-30-24-37(36)35-11-5-10-34(30)35;1-4-10-28(11-5-1)31-16-22-34(23-17-31)37(35-24-18-32(19-25-35)29-12-6-2-7-13-29)36-26-20-33(21-27-36)30-14-8-3-9-15-30;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/h10-21,31-33,37-48H,1-9,22-27H2;1-3,8-9,14-21,25,28-30,34-37H,4-7,10-13,22-24H2;16-30H,1-15H2;1-6,8-11,14-17,21,25-28H,7,12-13,18-19H2/q4*+1
InChIKeyFDXNMJJTPGUNSY-UHFFFAOYSA-N
XLogP40.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002093.30
LogP ≤ 540.65
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-(2,3,3a,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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is c1cc([S+](c2ccc(C3CC4CC3C3CCCC43)cc2)c2ccc(C3CC4CC3C3CCCC43)cc2)ccc1C1CC2CC1C1CCCC21.c1cc([S+](c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)ccc1C1CCCCC1.c1ccc([S+](c2ccc(C3CCC4CCCC4C3)cc2)c2ccc(C3CC4CC3C3CCCC43)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CC4CC3C3CCCC43)cc2)cc1.
What is the InChIKey of [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?
The InChIKey is FDXNMJJTPGUNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H57S.C37H43S.C36H45S.C28H29S/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;1-2-8-31(9-3-1)38(32-18-14-26(15-19-32)29-13-12-25-6-4-7-28(25)22-29)33-20-16-27(17-21-33)36-23-30-24-37(36)35-11-5-10-34(30)35;1-4-10-28(11-5-1)31-16-22-34(23-17-31)37(35-24-18-32(19-25-35)29-12-6-2-7-13-29)36-26-20-33(21-27-36)30-14-8-3-9-15-30;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/h10-21,31-33,37-48H,1-9,22-27H2;1-3,8-9,14-21,25,28-30,34-37H,4-7,10-13,22-24H2;16-30H,1-15H2;1-6,8-11,14-17,21,25-28H,7,12-13,18-19H2/q4*+1.
What are the key properties of [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?
[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 has a molecular weight of 2093.30 g/mol, XLogP of 40.65, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 158002663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).