4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile

C15H9NS2 — CID 23156964

IUPAC4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C15H9NS2/c16-10-11-3-5-12(6-4-11)13-7-8-15(18-13)14-2-1-9-17-14/h1-9H
InChIKeyBJELKYGNAJIRAK-UHFFFAOYSA-N
MW267.38 g/mol
LogP5.02
Rot. Bonds2

About 4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile

4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile (PubChem CID 23156964) has the molecular formula C15H9NS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile
PubChem CID23156964
Molecular FormulaC15H9NS2
Molecular Weight267.38 g/mol
Exact Mass267.02
IUPAC Name4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C15H9NS2/c16-10-11-3-5-12(6-4-11)13-7-8-15(18-13)14-2-1-9-17-14/h1-9H
InChIKeyBJELKYGNAJIRAK-UHFFFAOYSA-N
XLogP5.02
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.38
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile 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 4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile?
The IUPAC name of 4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile (CID 23156964) is 4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile.
What is the SMILES notation for 4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile?
The canonical SMILES for 4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile is N#Cc1ccc(-c2ccc(-c3cccs3)s2)cc1.
What is the InChIKey of 4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile?
The InChIKey is BJELKYGNAJIRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NS2/c16-10-11-3-5-12(6-4-11)13-7-8-15(18-13)14-2-1-9-17-14/h1-9H.
What are the key properties of 4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile?
4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile has a molecular weight of 267.38 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-thiophen-2-ylthiophen-2-yl)benzonitrile is sourced from PubChem (CID 23156964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).