1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 2,3,5,6-tetrafluoro-4-methylbenzenesulfonate;triphenylsulfanium;tris(4-fluorophenyl)sulfanium

C92H103F7O3S3+2 — CID 165070068

IUPAC1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 2,3,5,6-tetrafluoro-4-methylbenzenesulfonate;triphenylsulfanium;tris(4-fluorophenyl)sulfanium
SMILESCc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1c(F)c(F)c(S(=O)(=O)Oc2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1F.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H38F4O3S.C25H38.C18H12F3S.C18H15S/c1-19-26(32)28(34)31(29(35)27(19)33)39(36,37)38-30-24(21-13-7-3-8-14-21)17-23(20-11-5-2-6-12-20)18-25(30)22-15-9-4-10-16-22;1-19-24(21-13-7-3-8-14-21)17-23(20-11-5-2-6-12-20)18-25(19)22-15-9-4-10-16-22;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h17-18,20-22H,2-16H2,1H3;17-18,20-22H,2-16H2,1H3;1-12H;1-15H/q;;2*+1
InChIKeySPLKMHCVTRRUSZ-UHFFFAOYSA-N
MW1486.02 g/mol
LogP27.58
Rot. Bonds15

About 1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 2,3,5,6-tetrafluoro-4-methylbenzenesulfonate;triphenylsulfanium;tris(4-fluorophenyl)sulfanium

1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 2,3,5,6-tetrafluoro-4-methylbenzenesulfonate;triphenylsulfanium;tris(4-fluorophenyl)sulfanium (PubChem CID 165070068) has the molecular formula C92H103F7O3S3+2 and a molecular weight of 1486.02 g/mol. Its IUPAC name is 1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 2,3,5,6-tetrafluoro-4-methylbenzenesulfonate;triphenylsulfanium;tris(4-fluorophenyl)sulfanium.

Molecular Properties

Compound Name1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 2,3,5,6-tetrafluoro-4-methylbenzenesulfonate;triphenylsulfanium;tris(4-fluorophenyl)sulfanium
PubChem CID165070068
Molecular FormulaC92H103F7O3S3+2
Molecular Weight1486.02 g/mol
Exact Mass1484.69
IUPAC Name1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 2,3,5,6-tetrafluoro-4-methylbenzenesulfonate;triphenylsulfanium;tris(4-fluorophenyl)sulfanium
SMILESCc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1c(F)c(F)c(S(=O)(=O)Oc2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1F.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H38F4O3S.C25H38.C18H12F3S.C18H15S/c1-19-26(32)28(34)31(29(35)27(19)33)39(36,37)38-30-24(21-13-7-3-8-14-21)17-23(20-11-5-2-6-12-20)18-25(30)22-15-9-4-10-16-22;1-19-24(21-13-7-3-8-14-21)17-23(20-11-5-2-6-12-20)18-25(19)22-15-9-4-10-16-22;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h17-18,20-22H,2-16H2,1H3;17-18,20-22H,2-16H2,1H3;1-12H;1-15H/q;;2*+1
InChIKeySPLKMHCVTRRUSZ-UHFFFAOYSA-N
XLogP27.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001486.02
LogP ≤ 527.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 2,3,5,6-tetrafluoro-4-methylbenzenesulfonate;triphenylsulfanium;tris(4-fluorophenyl)sulfanium with MolForge

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Related Compounds

bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;bis(1,3,5-tricyclohexyl-2-methylbenzene);(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate
CID 159121230
bis((4-cyclohexylphenyl)-diphenylsulfanium);4-methylbenzenesulfonate;2,3,4,5,6-pentafluorobenzenesulfonate
CID 173182301
methanidyl 2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate
CID 163517547
2,3-difluoro-4-(2,4,6-tricyclohexylphenyl)sulfonyloxy-5,6,7,8-tetrahydronaphthalene-1-sulfonic acid
CID 176605048
[2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)phenyl]sulfonyloxidanium
CID 140868248
butanoate;diphenyl-(2,4,6-tricyclohexylphenyl)sulfanium
CID 158568993
[4-(1-adamantyl)phenyl] 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;(3-methoxyphenyl)-bis(3-methylphenyl)sulfanium;1,3,5-tricyclohexyl-2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)benzene;1,3,5-tricyclohexyl-2-methylbenzene;bis(triphenylsulfanium)
CID 161327810
1,3,5-tricyclohexyl-2-methoxybenzene
CID 123898644
(4-fluorophenyl)-diphenylsulfanium
CID 3497654
bis(bis[4-(2,3,4,5,6-pentafluorophenyl)sulfonyloxyphenyl]-phenylsulfanium);methanedisulfonate
CID 87388344
2-benzylperoxy-1,3,5-tricyclohexylbenzene;formaldehyde
CID 144725017
2,3,5,6-tetrafluoro-4-(2,4,6-tricyclopropylphenoxy)benzenesulfonic acid
CID 176604292

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 2,3,5,6-tetrafluoro-4-methylbenzenesulfonate;triphenylsulfanium;tris(4-fluorophenyl)sulfanium?
The IUPAC name of 1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 2,3,5,6-tetrafluoro-4-methylbenzenesulfonate;triphenylsulfanium;tris(4-fluorophenyl)sulfanium (CID 165070068) is 1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 2,3,5,6-tetrafluoro-4-methylbenzenesulfonate;triphenylsulfanium;tris(4-fluorophenyl)sulfanium.
What is the SMILES notation for 1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 2,3,5,6-tetrafluoro-4-methylbenzenesulfonate;triphenylsulfanium;tris(4-fluorophenyl)sulfanium?
The canonical SMILES for 1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 2,3,5,6-tetrafluoro-4-methylbenzenesulfonate;triphenylsulfanium;tris(4-fluorophenyl)sulfanium is Cc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1c(F)c(F)c(S(=O)(=O)Oc2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1F.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 2,3,5,6-tetrafluoro-4-methylbenzenesulfonate;triphenylsulfanium;tris(4-fluorophenyl)sulfanium?
The InChIKey is SPLKMHCVTRRUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38F4O3S.C25H38.C18H12F3S.C18H15S/c1-19-26(32)28(34)31(29(35)27(19)33)39(36,37)38-30-24(21-13-7-3-8-14-21)17-23(20-11-5-2-6-12-20)18-25(30)22-15-9-4-10-16-22;1-19-24(21-13-7-3-8-14-21)17-23(20-11-5-2-6-12-20)18-25(19)22-15-9-4-10-16-22;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h17-18,20-22H,2-16H2,1H3;17-18,20-22H,2-16H2,1H3;1-12H;1-15H/q;;2*+1.
What are the key properties of 1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 2,3,5,6-tetrafluoro-4-methylbenzenesulfonate;triphenylsulfanium;tris(4-fluorophenyl)sulfanium?
1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 2,3,5,6-tetrafluoro-4-methylbenzenesulfonate;triphenylsulfanium;tris(4-fluorophenyl)sulfanium has a molecular weight of 1486.02 g/mol, XLogP of 27.58, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tricyclohexyl-2-methylbenzene;(2,4,6-tricyclohexylphenyl) 2,3,5,6-tetrafluoro-4-methylbenzenesulfonate;triphenylsulfanium;tris(4-fluorophenyl)sulfanium is sourced from PubChem (CID 165070068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).