3-phenyl-2-(4-phenylphenyl)thiophene

C22H16S — CID 70178548

IUPAC3-phenyl-2-(4-phenylphenyl)thiophene
SMILESc1ccc(-c2ccc(-c3sccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H16S/c1-3-7-17(8-4-1)18-11-13-20(14-12-18)22-21(15-16-23-22)19-9-5-2-6-10-19/h1-16H
InChIKeyGLVQDTPIQHXWEA-UHFFFAOYSA-N
MW312.44 g/mol
LogP6.75
Rot. Bonds3

About 3-phenyl-2-(4-phenylphenyl)thiophene

3-phenyl-2-(4-phenylphenyl)thiophene (PubChem CID 70178548) has the molecular formula C22H16S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-phenyl-2-(4-phenylphenyl)thiophene.

Molecular Properties

Compound Name3-phenyl-2-(4-phenylphenyl)thiophene
PubChem CID70178548
Molecular FormulaC22H16S
Molecular Weight312.44 g/mol
Exact Mass312.10
IUPAC Name3-phenyl-2-(4-phenylphenyl)thiophene
SMILESc1ccc(-c2ccc(-c3sccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H16S/c1-3-7-17(8-4-1)18-11-13-20(14-12-18)22-21(15-16-23-22)19-9-5-2-6-10-19/h1-16H
InChIKeyGLVQDTPIQHXWEA-UHFFFAOYSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.44
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-phenyl-2-(4-phenylphenyl)thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(4-phenylphenyl)thiophene?
The IUPAC name of 3-phenyl-2-(4-phenylphenyl)thiophene (CID 70178548) is 3-phenyl-2-(4-phenylphenyl)thiophene.
What is the SMILES notation for 3-phenyl-2-(4-phenylphenyl)thiophene?
The canonical SMILES for 3-phenyl-2-(4-phenylphenyl)thiophene is c1ccc(-c2ccc(-c3sccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-phenyl-2-(4-phenylphenyl)thiophene?
The InChIKey is GLVQDTPIQHXWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16S/c1-3-7-17(8-4-1)18-11-13-20(14-12-18)22-21(15-16-23-22)19-9-5-2-6-10-19/h1-16H.
What are the key properties of 3-phenyl-2-(4-phenylphenyl)thiophene?
3-phenyl-2-(4-phenylphenyl)thiophene has a molecular weight of 312.44 g/mol, XLogP of 6.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(4-phenylphenyl)thiophene is sourced from PubChem (CID 70178548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).