1-(5-methyl-2-phenylphenyl)-3-(4-phenylphenyl)-2-benzothiophene

C33H24S — CID 156553677

IUPAC1-(5-methyl-2-phenylphenyl)-3-(4-phenylphenyl)-2-benzothiophene
SMILESCc1ccc(-c2ccccc2)c(-c2sc(-c3ccc(-c4ccccc4)cc3)c3ccccc23)c1
InChIInChI=1S/C33H24S/c1-23-16-21-28(26-12-6-3-7-13-26)31(22-23)33-30-15-9-8-14-29(30)32(34-33)27-19-17-25(18-20-27)24-10-4-2-5-11-24/h2-22H,1H3
InChIKeyOEHQAKFAOVEJQS-UHFFFAOYSA-N
MW452.62 g/mol
LogP9.88
Rot. Bonds4

About 1-(5-methyl-2-phenylphenyl)-3-(4-phenylphenyl)-2-benzothiophene

1-(5-methyl-2-phenylphenyl)-3-(4-phenylphenyl)-2-benzothiophene (PubChem CID 156553677) has the molecular formula C33H24S and a molecular weight of 452.62 g/mol. Its IUPAC name is 1-(5-methyl-2-phenylphenyl)-3-(4-phenylphenyl)-2-benzothiophene.

Molecular Properties

Compound Name1-(5-methyl-2-phenylphenyl)-3-(4-phenylphenyl)-2-benzothiophene
PubChem CID156553677
Molecular FormulaC33H24S
Molecular Weight452.62 g/mol
Exact Mass452.16
IUPAC Name1-(5-methyl-2-phenylphenyl)-3-(4-phenylphenyl)-2-benzothiophene
SMILESCc1ccc(-c2ccccc2)c(-c2sc(-c3ccc(-c4ccccc4)cc3)c3ccccc23)c1
InChIInChI=1S/C33H24S/c1-23-16-21-28(26-12-6-3-7-13-26)31(22-23)33-30-15-9-8-14-29(30)32(34-33)27-19-17-25(18-20-27)24-10-4-2-5-11-24/h2-22H,1H3
InChIKeyOEHQAKFAOVEJQS-UHFFFAOYSA-N
XLogP9.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.62
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(5-methyl-2-phenylphenyl)-3-(4-phenylphenyl)-2-benzothiophene 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-(2-phenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene
CID 156553110
4-methyl-1-phenyl-2-(2-phenylphenyl)benzene
CID 59171641
1-(2-tert-butyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2,3-diphenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(2-methyl-6-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene;1-(5-methyl-2-phenylphenyl)-3-(2-phenylphenyl)-2-benzothiophene
CID 157470270
1-(4-phenylphenyl)-3-triphenylen-1-yl-2-benzothiophene
CID 156553324
8-methyl-3-[4-(4-phenylphenyl)phenyl]fluoranthene
CID 58995610
4-methyl-1-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]benzene
CID 58892414
1-(5-phenylnaphthalen-1-yl)-3-(2-phenylphenyl)-2-benzothiophene
CID 156552708
4-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)pyridine
CID 156553424
1-methyl-4-[2-(3-phenylphenyl)phenyl]benzene
CID 58390014
4-chloro-3-methyl-2-(4-methylphenyl)-5-phenylthiophene
CID 86098596
4-[4-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran
CID 156552973
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
CID 123303809

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-phenylphenyl)-3-(4-phenylphenyl)-2-benzothiophene?
The IUPAC name of 1-(5-methyl-2-phenylphenyl)-3-(4-phenylphenyl)-2-benzothiophene (CID 156553677) is 1-(5-methyl-2-phenylphenyl)-3-(4-phenylphenyl)-2-benzothiophene.
What is the SMILES notation for 1-(5-methyl-2-phenylphenyl)-3-(4-phenylphenyl)-2-benzothiophene?
The canonical SMILES for 1-(5-methyl-2-phenylphenyl)-3-(4-phenylphenyl)-2-benzothiophene is Cc1ccc(-c2ccccc2)c(-c2sc(-c3ccc(-c4ccccc4)cc3)c3ccccc23)c1.
What is the InChIKey of 1-(5-methyl-2-phenylphenyl)-3-(4-phenylphenyl)-2-benzothiophene?
The InChIKey is OEHQAKFAOVEJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24S/c1-23-16-21-28(26-12-6-3-7-13-26)31(22-23)33-30-15-9-8-14-29(30)32(34-33)27-19-17-25(18-20-27)24-10-4-2-5-11-24/h2-22H,1H3.
What are the key properties of 1-(5-methyl-2-phenylphenyl)-3-(4-phenylphenyl)-2-benzothiophene?
1-(5-methyl-2-phenylphenyl)-3-(4-phenylphenyl)-2-benzothiophene has a molecular weight of 452.62 g/mol, XLogP of 9.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-phenylphenyl)-3-(4-phenylphenyl)-2-benzothiophene is sourced from PubChem (CID 156553677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).