[diphenyl(phenylsulfanyl)methyl]benzene

C25H20S — CID 618250

IUPAC[diphenyl(phenylsulfanyl)methyl]benzene
SMILESc1ccc(SC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H20S/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)26-24-19-11-4-12-20-24/h1-20H
InChIKeyFSQSONPZMZVRAL-UHFFFAOYSA-N
MW352.50 g/mol
LogP6.77
Rot. Bonds5

About [diphenyl(phenylsulfanyl)methyl]benzene

[diphenyl(phenylsulfanyl)methyl]benzene (PubChem CID 618250) has the molecular formula C25H20S and a molecular weight of 352.50 g/mol. Its IUPAC name is [diphenyl(phenylsulfanyl)methyl]benzene.

Molecular Properties

Compound Name[diphenyl(phenylsulfanyl)methyl]benzene
PubChem CID618250
Molecular FormulaC25H20S
Molecular Weight352.50 g/mol
Exact Mass352.13
IUPAC Name[diphenyl(phenylsulfanyl)methyl]benzene
SMILESc1ccc(SC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H20S/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)26-24-19-11-4-12-20-24/h1-20H
InChIKeyFSQSONPZMZVRAL-UHFFFAOYSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.50
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Tetraphenylthiophene
CID 74664
Phenyl 3-phenylpropyl sulphide
CID 141544
Alpha,alpha-bis(phenylthio)toluene
CID 608010
Sulfide, benzyl trityl
CID 245019
p-Bis((phenylthio)methyl)benzene
CID 611565
Alpha,alpha-dimethylbenzyl phenyl sulfide
CID 576894
4,4'-Bis(ethylthio)biphenyl
CID 4026825
1,1',1''-[(Ethylsulfanyl)methanetriyl]tribenzene
CID 238259
1-Methyl-2-tritylsulfanylbenzene
CID 408597
((((Benzylthio)(diphenyl)methyl)thio)methyl)benzene
CID 245020
4H-Thiopyran, 4-(2,6-diphenyl-4H-thiopyran-4-ylidene)-2,6-diphenyl-
CID 142611
4-(4-Methylbenzenesulfonyl)-1,1'-biphenyl
CID 2801718

Frequently Asked Questions

What is the IUPAC name of [diphenyl(phenylsulfanyl)methyl]benzene?
The IUPAC name of [diphenyl(phenylsulfanyl)methyl]benzene (CID 618250) is [diphenyl(phenylsulfanyl)methyl]benzene.
What is the SMILES notation for [diphenyl(phenylsulfanyl)methyl]benzene?
The canonical SMILES for [diphenyl(phenylsulfanyl)methyl]benzene is c1ccc(SC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [diphenyl(phenylsulfanyl)methyl]benzene?
The InChIKey is FSQSONPZMZVRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20S/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)26-24-19-11-4-12-20-24/h1-20H.
What are the key properties of [diphenyl(phenylsulfanyl)methyl]benzene?
[diphenyl(phenylsulfanyl)methyl]benzene has a molecular weight of 352.50 g/mol, XLogP of 6.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl(phenylsulfanyl)methyl]benzene is sourced from PubChem (CID 618250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).