1-benzyl-3-(3-benzylphenyl)sulfanylbenzene

C26H22S — CID 141375916

IUPAC1-benzyl-3-(3-benzylphenyl)sulfanylbenzene
SMILESc1ccc(Cc2cccc(Sc3cccc(Cc4ccccc4)c3)c2)cc1
InChIInChI=1S/C26H22S/c1-3-9-21(10-4-1)17-23-13-7-15-25(19-23)27-26-16-8-14-24(20-26)18-22-11-5-2-6-12-22/h1-16,19-20H,17-18H2
InChIKeyVFRTVIUSFBBUID-UHFFFAOYSA-N
MW366.53 g/mol
LogP7.02
Rot. Bonds6

About 1-benzyl-3-(3-benzylphenyl)sulfanylbenzene

1-benzyl-3-(3-benzylphenyl)sulfanylbenzene (PubChem CID 141375916) has the molecular formula C26H22S and a molecular weight of 366.53 g/mol. Its IUPAC name is 1-benzyl-3-(3-benzylphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-benzyl-3-(3-benzylphenyl)sulfanylbenzene
PubChem CID141375916
Molecular FormulaC26H22S
Molecular Weight366.53 g/mol
Exact Mass366.14
IUPAC Name1-benzyl-3-(3-benzylphenyl)sulfanylbenzene
SMILESc1ccc(Cc2cccc(Sc3cccc(Cc4ccccc4)c3)c2)cc1
InChIInChI=1S/C26H22S/c1-3-9-21(10-4-1)17-23-13-7-15-25(19-23)27-26-16-8-14-24(20-26)18-22-11-5-2-6-12-22/h1-16,19-20H,17-18H2
InChIKeyVFRTVIUSFBBUID-UHFFFAOYSA-N
XLogP7.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.53
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-3-(3-benzylphenyl)sulfanylbenzene 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-benzyl-3-methylsulfanylbenzene
CID 54461240
1,3,5-tris[[3-[(3-benzylphenyl)methyl]phenyl]methyl]benzene
CID 100946405
1,3-bis[(3-phenylsulfanylphenyl)sulfanyl]benzene
CID 21413042
1-(bromomethyl)-3-[3-(bromomethyl)phenyl]sulfanylbenzene
CID 140753778
phenyl(113C)methylbenzene
CID 11194569
1-benzyl-4-(4-phenylphenyl)sulfanylbenzene
CID 59163536
1,4-bis(3-benzylphenyl)benzene
CID 175442136
1-benzyl-3-(methylsulfanylmethyl)benzene
CID 123343533
4-[(4-phenylsulfanylphenyl)methyl]phenol
CID 175400432
O-ethyl (3-benzylphenyl)sulfanylmethanethioate
CID 87528123
potassium;benzylbenzene;hydride
CID 173011788
1-[3-[3-[(dimethylamino)methyl]phenyl]sulfanylphenyl]-N,N-dimethylmethanamine;dihydrochloride
CID 172885498

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-benzylphenyl)sulfanylbenzene?
The IUPAC name of 1-benzyl-3-(3-benzylphenyl)sulfanylbenzene (CID 141375916) is 1-benzyl-3-(3-benzylphenyl)sulfanylbenzene.
What is the SMILES notation for 1-benzyl-3-(3-benzylphenyl)sulfanylbenzene?
The canonical SMILES for 1-benzyl-3-(3-benzylphenyl)sulfanylbenzene is c1ccc(Cc2cccc(Sc3cccc(Cc4ccccc4)c3)c2)cc1.
What is the InChIKey of 1-benzyl-3-(3-benzylphenyl)sulfanylbenzene?
The InChIKey is VFRTVIUSFBBUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22S/c1-3-9-21(10-4-1)17-23-13-7-15-25(19-23)27-26-16-8-14-24(20-26)18-22-11-5-2-6-12-22/h1-16,19-20H,17-18H2.
What are the key properties of 1-benzyl-3-(3-benzylphenyl)sulfanylbenzene?
1-benzyl-3-(3-benzylphenyl)sulfanylbenzene has a molecular weight of 366.53 g/mol, XLogP of 7.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-benzylphenyl)sulfanylbenzene is sourced from PubChem (CID 141375916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).