5-(4-chlorophenyl)-2,3-diphenylthiophene

C22H15ClS — CID 6450825

IUPAC5-(4-chlorophenyl)-2,3-diphenylthiophene
SMILESClc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)s2)cc1
InChIInChI=1S/C22H15ClS/c23-19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)22(24-21)18-9-5-2-6-10-18/h1-15H
InChIKeyJWXZLCFGVKMEEK-UHFFFAOYSA-N
MW346.88 g/mol
LogP7.40
Rot. Bonds3

About 5-(4-chlorophenyl)-2,3-diphenylthiophene

5-(4-chlorophenyl)-2,3-diphenylthiophene (PubChem CID 6450825) has the molecular formula C22H15ClS and a molecular weight of 346.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2,3-diphenylthiophene.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2,3-diphenylthiophene
PubChem CID6450825
Molecular FormulaC22H15ClS
Molecular Weight346.88 g/mol
Exact Mass346.06
IUPAC Name5-(4-chlorophenyl)-2,3-diphenylthiophene
SMILESClc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)s2)cc1
InChIInChI=1S/C22H15ClS/c23-19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)22(24-21)18-9-5-2-6-10-18/h1-15H
InChIKeyJWXZLCFGVKMEEK-UHFFFAOYSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.88
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(4-chlorophenyl)-2,3-diphenylthiophene 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 5-(4-chlorophenyl)-2,3-diphenylthiophene?
The IUPAC name of 5-(4-chlorophenyl)-2,3-diphenylthiophene (CID 6450825) is 5-(4-chlorophenyl)-2,3-diphenylthiophene.
What is the SMILES notation for 5-(4-chlorophenyl)-2,3-diphenylthiophene?
The canonical SMILES for 5-(4-chlorophenyl)-2,3-diphenylthiophene is Clc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)s2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2,3-diphenylthiophene?
The InChIKey is JWXZLCFGVKMEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClS/c23-19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)22(24-21)18-9-5-2-6-10-18/h1-15H.
What are the key properties of 5-(4-chlorophenyl)-2,3-diphenylthiophene?
5-(4-chlorophenyl)-2,3-diphenylthiophene has a molecular weight of 346.88 g/mol, XLogP of 7.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2,3-diphenylthiophene is sourced from PubChem (CID 6450825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).