1,2-diphenyl-4-phenylsulfanylbenzene

C24H18S — CID 141384585

IUPAC1,2-diphenyl-4-phenylsulfanylbenzene
SMILESc1ccc(Sc2ccc(-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H18S/c1-4-10-19(11-5-1)23-17-16-22(25-21-14-8-3-9-15-21)18-24(23)20-12-6-2-7-13-20/h1-18H
InChIKeyCUEKOUSVGKDGCH-UHFFFAOYSA-N
MW338.48 g/mol
LogP7.17
Rot. Bonds4

About 1,2-diphenyl-4-phenylsulfanylbenzene

1,2-diphenyl-4-phenylsulfanylbenzene (PubChem CID 141384585) has the molecular formula C24H18S and a molecular weight of 338.48 g/mol. Its IUPAC name is 1,2-diphenyl-4-phenylsulfanylbenzene.

Molecular Properties

Compound Name1,2-diphenyl-4-phenylsulfanylbenzene
PubChem CID141384585
Molecular FormulaC24H18S
Molecular Weight338.48 g/mol
Exact Mass338.11
IUPAC Name1,2-diphenyl-4-phenylsulfanylbenzene
SMILESc1ccc(Sc2ccc(-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H18S/c1-4-10-19(11-5-1)23-17-16-22(25-21-14-8-3-9-15-21)18-24(23)20-12-6-2-7-13-20/h1-18H
InChIKeyCUEKOUSVGKDGCH-UHFFFAOYSA-N
XLogP7.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.48
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2-diphenyl-4-phenylsulfanylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-2-(4-phenylsulfanylphenyl)benzene
CID 21416504
2-phenyl-4-phenylsulfanylaniline
CID 68788372
1,3-bis[(3-phenylsulfanylphenyl)sulfanyl]benzene
CID 21413042
CID 66690055
CID 66690055
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene
CID 174878589
1,2,4-triphenylbenzene
CID 518325
4-phenyl-3-phenylsulfanylaniline
CID 68787885
5-[4-[4-(1,3-dioxo-2-phenylisoindol-5-yl)sulfanylphenyl]phenyl]sulfanyl-2-phenylisoindole-1,3-dione
CID 21434743
5-phenylsulfanylinden-1-one
CID 141147197
4,7-bis(4-phenylphenyl)-2,9-bis(4-phenylsulfanylphenyl)-1,10-phenanthroline
CID 70909553
1,4-bis(phenylsulfanyl)benzene;ethane;tritiomethane
CID 158378208

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-4-phenylsulfanylbenzene?
The IUPAC name of 1,2-diphenyl-4-phenylsulfanylbenzene (CID 141384585) is 1,2-diphenyl-4-phenylsulfanylbenzene.
What is the SMILES notation for 1,2-diphenyl-4-phenylsulfanylbenzene?
The canonical SMILES for 1,2-diphenyl-4-phenylsulfanylbenzene is c1ccc(Sc2ccc(-c3ccccc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 1,2-diphenyl-4-phenylsulfanylbenzene?
The InChIKey is CUEKOUSVGKDGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18S/c1-4-10-19(11-5-1)23-17-16-22(25-21-14-8-3-9-15-21)18-24(23)20-12-6-2-7-13-20/h1-18H.
What are the key properties of 1,2-diphenyl-4-phenylsulfanylbenzene?
1,2-diphenyl-4-phenylsulfanylbenzene has a molecular weight of 338.48 g/mol, XLogP of 7.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-4-phenylsulfanylbenzene is sourced from PubChem (CID 141384585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).