1-phenyl-2-(4-phenylsulfanylphenyl)benzene

C24H18S — CID 21416504

IUPAC1-phenyl-2-(4-phenylsulfanylphenyl)benzene
SMILESc1ccc(Sc2ccc(-c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H18S/c1-3-9-19(10-4-1)23-13-7-8-14-24(23)20-15-17-22(18-16-20)25-21-11-5-2-6-12-21/h1-18H
InChIKeyDEPXTPZQYPGZPD-UHFFFAOYSA-N
MW338.48 g/mol
LogP7.17
Rot. Bonds4

About 1-phenyl-2-(4-phenylsulfanylphenyl)benzene

1-phenyl-2-(4-phenylsulfanylphenyl)benzene (PubChem CID 21416504) has the molecular formula C24H18S and a molecular weight of 338.48 g/mol. Its IUPAC name is 1-phenyl-2-(4-phenylsulfanylphenyl)benzene.

Molecular Properties

Compound Name1-phenyl-2-(4-phenylsulfanylphenyl)benzene
PubChem CID21416504
Molecular FormulaC24H18S
Molecular Weight338.48 g/mol
Exact Mass338.11
IUPAC Name1-phenyl-2-(4-phenylsulfanylphenyl)benzene
SMILESc1ccc(Sc2ccc(-c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H18S/c1-3-9-19(10-4-1)23-13-7-8-14-24(23)20-15-17-22(18-16-20)25-21-11-5-2-6-12-21/h1-18H
InChIKeyDEPXTPZQYPGZPD-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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Related Compounds

Tetraphenylthiophene
CID 74664
Sulfide, benzyl trityl
CID 245019
1-(((1-Naphthylmethyl)thio)methyl)naphthalene
CID 233907
Alpha,alpha-dimethylbenzyl phenyl sulfide
CID 576894
4,4'-Bis(ethylthio)biphenyl
CID 4026825
1-Methyl-2-tritylsulfanylbenzene
CID 408597
4-(Methylsulfonyl)phenyl[phenyl]benzene
CID 9883082
4-(4-Methylbenzenesulfonyl)-1,1'-biphenyl
CID 2801718
1-(Phenylthio)naphthalene
CID 291319
2-(Phenylsulfanyl)naphthalene
CID 291320
Benzene, 1,1'-[(1-phenylethylidene)bis(thio)]bis-
CID 4296225
4-Biphenylyl phenyl sulfide
CID 4387159

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(4-phenylsulfanylphenyl)benzene?
The IUPAC name of 1-phenyl-2-(4-phenylsulfanylphenyl)benzene (CID 21416504) is 1-phenyl-2-(4-phenylsulfanylphenyl)benzene.
What is the SMILES notation for 1-phenyl-2-(4-phenylsulfanylphenyl)benzene?
The canonical SMILES for 1-phenyl-2-(4-phenylsulfanylphenyl)benzene is c1ccc(Sc2ccc(-c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-phenyl-2-(4-phenylsulfanylphenyl)benzene?
The InChIKey is DEPXTPZQYPGZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18S/c1-3-9-19(10-4-1)23-13-7-8-14-24(23)20-15-17-22(18-16-20)25-21-11-5-2-6-12-21/h1-18H.
What are the key properties of 1-phenyl-2-(4-phenylsulfanylphenyl)benzene?
1-phenyl-2-(4-phenylsulfanylphenyl)benzene 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-phenyl-2-(4-phenylsulfanylphenyl)benzene is sourced from PubChem (CID 21416504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).