2,3-diphenylbenzene-1,4-dicarbonitrile

C20H12N2 — CID 174765818

IUPAC2,3-diphenylbenzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H12N2/c21-13-17-11-12-18(14-22)20(16-9-5-2-6-10-16)19(17)15-7-3-1-4-8-15/h1-12H
InChIKeyFJOWJIKFBBZMQI-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.76
Rot. Bonds2

About 2,3-diphenylbenzene-1,4-dicarbonitrile

2,3-diphenylbenzene-1,4-dicarbonitrile (PubChem CID 174765818) has the molecular formula C20H12N2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2,3-diphenylbenzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2,3-diphenylbenzene-1,4-dicarbonitrile
PubChem CID174765818
Molecular FormulaC20H12N2
Molecular Weight280.33 g/mol
Exact Mass280.10
IUPAC Name2,3-diphenylbenzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H12N2/c21-13-17-11-12-18(14-22)20(16-9-5-2-6-10-16)19(17)15-7-3-1-4-8-15/h1-12H
InChIKeyFJOWJIKFBBZMQI-UHFFFAOYSA-N
XLogP4.76
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-diphenylbenzene-1,4-dicarbonitrile 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

4-hydroxy-2,3-diphenylbenzonitrile
CID 162768355
tris(4-cyano-2,3-diphenylphenyl) phosphite
CID 67894422
4-(2,3,4,5,6-pentakis-phenylphenyl)benzene-1,2-dicarbonitrile
CID 86200455
4-methyl-2-phenylbenzene-1,3-dicarbonitrile
CID 90016382
4-phenylpyridine-3,5-dicarbonitrile
CID 66612265
3-fluoro-2-phenylbenzonitrile
CID 46314737
3-ethynyl-2-phenylbenzonitrile
CID 174660644
4-cyano-3-phenylphthalic acid
CID 151383359
1-phenylanthracene-2-carbonitrile
CID 175261517
4-ethyl-3-methyl-2-phenylbenzonitrile
CID 98010488
3,4-dimethoxy-2-phenylbenzonitrile
CID 67635985
diethyl butanedioate;2,3-diphenylbenzene-1,4-dicarbonitrile
CID 174765817

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenylbenzene-1,4-dicarbonitrile?
The IUPAC name of 2,3-diphenylbenzene-1,4-dicarbonitrile (CID 174765818) is 2,3-diphenylbenzene-1,4-dicarbonitrile.
What is the SMILES notation for 2,3-diphenylbenzene-1,4-dicarbonitrile?
The canonical SMILES for 2,3-diphenylbenzene-1,4-dicarbonitrile is N#Cc1ccc(C#N)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2,3-diphenylbenzene-1,4-dicarbonitrile?
The InChIKey is FJOWJIKFBBZMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2/c21-13-17-11-12-18(14-22)20(16-9-5-2-6-10-16)19(17)15-7-3-1-4-8-15/h1-12H.
What are the key properties of 2,3-diphenylbenzene-1,4-dicarbonitrile?
2,3-diphenylbenzene-1,4-dicarbonitrile has a molecular weight of 280.33 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenylbenzene-1,4-dicarbonitrile is sourced from PubChem (CID 174765818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).