bis(4-cyclohexylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium

C31H34F3S+ — CID 166005175

IUPACbis(4-cyclohexylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium
SMILESFC(F)(F)c1ccc([S+](c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C31H34F3S/c32-31(33,34)27-15-21-30(22-16-27)35(28-17-11-25(12-18-28)23-7-3-1-4-8-23)29-19-13-26(14-20-29)24-9-5-2-6-10-24/h11-24H,1-10H2/q+1
InChIKeyKEVZZKIHKKTOTL-UHFFFAOYSA-N
MW495.67 g/mol
LogP9.90
Rot. Bonds5

About bis(4-cyclohexylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium

bis(4-cyclohexylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium (PubChem CID 166005175) has the molecular formula C31H34F3S+ and a molecular weight of 495.67 g/mol. Its IUPAC name is bis(4-cyclohexylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium.

Molecular Properties

Compound Namebis(4-cyclohexylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium
PubChem CID166005175
Molecular FormulaC31H34F3S+
Molecular Weight495.67 g/mol
Exact Mass495.23
IUPAC Namebis(4-cyclohexylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium
SMILESFC(F)(F)c1ccc([S+](c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C31H34F3S/c32-31(33,34)27-15-21-30(22-16-27)35(28-17-11-25(12-18-28)23-7-3-1-4-8-23)29-19-13-26(14-20-29)24-9-5-2-6-10-24/h11-24H,1-10H2/q+1
InChIKeyKEVZZKIHKKTOTL-UHFFFAOYSA-N
XLogP9.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.67
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4-cyclohexylphenyl)-bis(4-hydroxyphenyl)sulfanium
CID 58820907
1-cyclohexyl-4-(1,1,2,2-tetrafluoroethyl)benzene
CID 23236608
3-[4-(trifluoromethyl)phenyl]cycloheptan-1-ol
CID 64514395
1-cyclohexyl-4-(1,1-difluoro-2-methylpropyl)benzene
CID 116841385
(3R)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074264
(3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074262
phenyl-bis[4-(trifluoromethyl)phenyl]sulfanium bromide
CID 86043947
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 71742225
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 71742224
3-(4-cyclohexylphenyl)-3-methylbutan-2-one
CID 82294466
N-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 17389494
butanoate;tris(4-cyclohexylphenyl)sulfanium
CID 159058551

Frequently Asked Questions

What is the IUPAC name of bis(4-cyclohexylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium?
The IUPAC name of bis(4-cyclohexylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium (CID 166005175) is bis(4-cyclohexylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium.
What is the SMILES notation for bis(4-cyclohexylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium?
The canonical SMILES for bis(4-cyclohexylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium is FC(F)(F)c1ccc([S+](c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of bis(4-cyclohexylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium?
The InChIKey is KEVZZKIHKKTOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F3S/c32-31(33,34)27-15-21-30(22-16-27)35(28-17-11-25(12-18-28)23-7-3-1-4-8-23)29-19-13-26(14-20-29)24-9-5-2-6-10-24/h11-24H,1-10H2/q+1.
What are the key properties of bis(4-cyclohexylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium?
bis(4-cyclohexylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium has a molecular weight of 495.67 g/mol, XLogP of 9.90, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-cyclohexylphenyl)-[4-(trifluoromethyl)phenyl]sulfanium is sourced from PubChem (CID 166005175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).