1-benzyl-4-(4-phenylphenyl)sulfanylbenzene

C25H20S — CID 59163536

IUPAC1-benzyl-4-(4-phenylphenyl)sulfanylbenzene
SMILESc1ccc(Cc2ccc(Sc3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C25H20S/c1-3-7-20(8-4-1)19-21-11-15-24(16-12-21)26-25-17-13-23(14-18-25)22-9-5-2-6-10-22/h1-18H,19H2
InChIKeyGNQCWZBSVZHAFL-UHFFFAOYSA-N
MW352.50 g/mol
LogP7.10
Rot. Bonds5

About 1-benzyl-4-(4-phenylphenyl)sulfanylbenzene

1-benzyl-4-(4-phenylphenyl)sulfanylbenzene (PubChem CID 59163536) has the molecular formula C25H20S and a molecular weight of 352.50 g/mol. Its IUPAC name is 1-benzyl-4-(4-phenylphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-benzyl-4-(4-phenylphenyl)sulfanylbenzene
PubChem CID59163536
Molecular FormulaC25H20S
Molecular Weight352.50 g/mol
Exact Mass352.13
IUPAC Name1-benzyl-4-(4-phenylphenyl)sulfanylbenzene
SMILESc1ccc(Cc2ccc(Sc3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C25H20S/c1-3-7-20(8-4-1)19-21-11-15-24(16-12-21)26-25-17-13-23(14-18-25)22-9-5-2-6-10-22/h1-18H,19H2
InChIKeyGNQCWZBSVZHAFL-UHFFFAOYSA-N
XLogP7.10
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 ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-bis(4-benzylphenyl)benzene
CID 58251041
4-[(4-phenylsulfanylphenyl)methyl]phenol
CID 175400432
4-(4-benzylphenyl)pyridine
CID 174553937
1-benzyl-4-methylsulfanylbenzene
CID 23524923
[4-[(4-phenylphenyl)methyl]phenyl]methanol
CID 141147437
1,4-bis(3-benzylphenyl)benzene
CID 175442136
phenyl(113C)methylbenzene
CID 11194569
2-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]sulfanylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140904949
1-benzyl-3-(3-benzylphenyl)sulfanylbenzene
CID 141375916
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
1-phenyl-2-(4-phenylsulfanylphenyl)benzene
CID 21416504

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-phenylphenyl)sulfanylbenzene?
The IUPAC name of 1-benzyl-4-(4-phenylphenyl)sulfanylbenzene (CID 59163536) is 1-benzyl-4-(4-phenylphenyl)sulfanylbenzene.
What is the SMILES notation for 1-benzyl-4-(4-phenylphenyl)sulfanylbenzene?
The canonical SMILES for 1-benzyl-4-(4-phenylphenyl)sulfanylbenzene is c1ccc(Cc2ccc(Sc3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 1-benzyl-4-(4-phenylphenyl)sulfanylbenzene?
The InChIKey is GNQCWZBSVZHAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20S/c1-3-7-20(8-4-1)19-21-11-15-24(16-12-21)26-25-17-13-23(14-18-25)22-9-5-2-6-10-22/h1-18H,19H2.
What are the key properties of 1-benzyl-4-(4-phenylphenyl)sulfanylbenzene?
1-benzyl-4-(4-phenylphenyl)sulfanylbenzene has a molecular weight of 352.50 g/mol, XLogP of 7.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-phenylphenyl)sulfanylbenzene is sourced from PubChem (CID 59163536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).