[2-[2-[4-(4-methylphenyl)sulfanylphenyl]phenyl]phenyl]-phenylmethanone

C32H24OS — CID 175304883

IUPAC[2-[2-[4-(4-methylphenyl)sulfanylphenyl]phenyl]phenyl]-phenylmethanone
SMILESCc1ccc(Sc2ccc(-c3ccccc3-c3ccccc3C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C32H24OS/c1-23-15-19-26(20-16-23)34-27-21-17-24(18-22-27)28-11-5-6-12-29(28)30-13-7-8-14-31(30)32(33)25-9-3-2-4-10-25/h2-22H,1H3
InChIKeyJQHVOSBUHYJOMA-UHFFFAOYSA-N
MW456.61 g/mol
LogP8.71
Rot. Bonds6

About [2-[2-[4-(4-methylphenyl)sulfanylphenyl]phenyl]phenyl]-phenylmethanone

[2-[2-[4-(4-methylphenyl)sulfanylphenyl]phenyl]phenyl]-phenylmethanone (PubChem CID 175304883) has the molecular formula C32H24OS and a molecular weight of 456.61 g/mol. Its IUPAC name is [2-[2-[4-(4-methylphenyl)sulfanylphenyl]phenyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[2-[4-(4-methylphenyl)sulfanylphenyl]phenyl]phenyl]-phenylmethanone
PubChem CID175304883
Molecular FormulaC32H24OS
Molecular Weight456.61 g/mol
Exact Mass456.15
IUPAC Name[2-[2-[4-(4-methylphenyl)sulfanylphenyl]phenyl]phenyl]-phenylmethanone
SMILESCc1ccc(Sc2ccc(-c3ccccc3-c3ccccc3C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C32H24OS/c1-23-15-19-26(20-16-23)34-27-21-17-24(18-22-27)28-11-5-6-12-29(28)30-13-7-8-14-31(30)32(33)25-9-3-2-4-10-25/h2-22H,1H3
InChIKeyJQHVOSBUHYJOMA-UHFFFAOYSA-N
XLogP8.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.61
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane
CID 174608573
(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone
CID 175461017
phenyl-[2-(2-phenylbenzoyl)phenyl]methanone
CID 141429590
[2-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]phenyl]-phenylmethanone
CID 141056080
bis[2-[4-(2-methylphenyl)sulfanylphenyl]phenyl]methanone
CID 154135705
(2-methyl-4-phenylsulfanylphenyl)-phenylmethanone
CID 141421522
(2-methylphenyl)-[2-(4-methylphenyl)phenyl]methanone
CID 171716642
bis(diphenylmethanone);phenylsulfanylbenzene
CID 159073316
1-phenyl-2-(4-phenylsulfanylphenyl)benzene
CID 21416504
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588

Frequently Asked Questions

What is the IUPAC name of [2-[2-[4-(4-methylphenyl)sulfanylphenyl]phenyl]phenyl]-phenylmethanone?
The IUPAC name of [2-[2-[4-(4-methylphenyl)sulfanylphenyl]phenyl]phenyl]-phenylmethanone (CID 175304883) is [2-[2-[4-(4-methylphenyl)sulfanylphenyl]phenyl]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[2-[4-(4-methylphenyl)sulfanylphenyl]phenyl]phenyl]-phenylmethanone?
The canonical SMILES for [2-[2-[4-(4-methylphenyl)sulfanylphenyl]phenyl]phenyl]-phenylmethanone is Cc1ccc(Sc2ccc(-c3ccccc3-c3ccccc3C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of [2-[2-[4-(4-methylphenyl)sulfanylphenyl]phenyl]phenyl]-phenylmethanone?
The InChIKey is JQHVOSBUHYJOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24OS/c1-23-15-19-26(20-16-23)34-27-21-17-24(18-22-27)28-11-5-6-12-29(28)30-13-7-8-14-31(30)32(33)25-9-3-2-4-10-25/h2-22H,1H3.
What are the key properties of [2-[2-[4-(4-methylphenyl)sulfanylphenyl]phenyl]phenyl]-phenylmethanone?
[2-[2-[4-(4-methylphenyl)sulfanylphenyl]phenyl]phenyl]-phenylmethanone has a molecular weight of 456.61 g/mol, XLogP of 8.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[4-(4-methylphenyl)sulfanylphenyl]phenyl]phenyl]-phenylmethanone is sourced from PubChem (CID 175304883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).