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

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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).