2,5-diphenyl-1H-pyrrole-3-carbonitrile

C17H12N2 — CID 5044455

IUPAC2,5-diphenyl-1H-pyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)[nH]c1-c1ccccc1
InChIInChI=1S/C17H12N2/c18-12-15-11-16(13-7-3-1-4-8-13)19-17(15)14-9-5-2-6-10-14/h1-11,19H
InChIKeyCXEQKIIHTWHDHY-UHFFFAOYSA-N
MW244.30 g/mol
LogP4.22
Rot. Bonds2

About 2,5-diphenyl-1H-pyrrole-3-carbonitrile

2,5-diphenyl-1H-pyrrole-3-carbonitrile (PubChem CID 5044455) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 2,5-diphenyl-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2,5-diphenyl-1H-pyrrole-3-carbonitrile
PubChem CID5044455
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC Name2,5-diphenyl-1H-pyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)[nH]c1-c1ccccc1
InChIInChI=1S/C17H12N2/c18-12-15-11-16(13-7-3-1-4-8-13)19-17(15)14-9-5-2-6-10-14/h1-11,19H
InChIKeyCXEQKIIHTWHDHY-UHFFFAOYSA-N
XLogP4.22
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,5-diphenyl-1H-pyrrole-3-carbonitrile 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 2,5-diphenyl-1H-pyrrole-3-carbonitrile?
The IUPAC name of 2,5-diphenyl-1H-pyrrole-3-carbonitrile (CID 5044455) is 2,5-diphenyl-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 2,5-diphenyl-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 2,5-diphenyl-1H-pyrrole-3-carbonitrile is N#Cc1cc(-c2ccccc2)[nH]c1-c1ccccc1.
What is the InChIKey of 2,5-diphenyl-1H-pyrrole-3-carbonitrile?
The InChIKey is CXEQKIIHTWHDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2/c18-12-15-11-16(13-7-3-1-4-8-13)19-17(15)14-9-5-2-6-10-14/h1-11,19H.
What are the key properties of 2,5-diphenyl-1H-pyrrole-3-carbonitrile?
2,5-diphenyl-1H-pyrrole-3-carbonitrile has a molecular weight of 244.30 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 5044455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).