4-(4-cyanophenyl)benzonitrile

C14H8N2 — CID 15321

IUPAC4-(4-cyanophenyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C14H8N2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H
InChIKeyKAXYYLCSSXFXKR-UHFFFAOYSA-N
MW204.23 g/mol
LogP3.10
Rot. Bonds1

About 4-(4-cyanophenyl)benzonitrile

4-(4-cyanophenyl)benzonitrile (PubChem CID 15321) has the molecular formula C14H8N2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(4-cyanophenyl)benzonitrile.

Molecular Properties

Compound Name4-(4-cyanophenyl)benzonitrile
PubChem CID15321
Molecular FormulaC14H8N2
Molecular Weight204.23 g/mol
Exact Mass204.07
IUPAC Name4-(4-cyanophenyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C14H8N2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H
InChIKeyKAXYYLCSSXFXKR-UHFFFAOYSA-N
XLogP3.10
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-cyanophenyl)benzonitrile 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

Phenylacetonitrile
CID 8794
Isophthalonitrile
CID 12276
4-Methylbiphenyl
CID 12566
Phthalonitrile
CID 7042
Benzenepropanenitrile
CID 12581
Diphenylacetonitrile
CID 6837
p-Tolunitrile
CID 7724
4-Isopropylbenzonitrile
CID 26289
9-Cyanoanthracene
CID 14586
3,4-Dimethylbenzonitrile
CID 89884
(1,1'-Biphenyl)-4-carbonitrile, 4'-hexyl-
CID 38764
Benzenebutanenitrile
CID 74897

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)benzonitrile?
The IUPAC name of 4-(4-cyanophenyl)benzonitrile (CID 15321) is 4-(4-cyanophenyl)benzonitrile.
What is the SMILES notation for 4-(4-cyanophenyl)benzonitrile?
The canonical SMILES for 4-(4-cyanophenyl)benzonitrile is N#Cc1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-(4-cyanophenyl)benzonitrile?
The InChIKey is KAXYYLCSSXFXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H.
What are the key properties of 4-(4-cyanophenyl)benzonitrile?
4-(4-cyanophenyl)benzonitrile has a molecular weight of 204.23 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)benzonitrile is sourced from PubChem (CID 15321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).