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Molecule record

4-phenylbenzonitrile

C13H9N

179.22 g/mol

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Molecular properties

Formula
C13H9N
Molar mass
179.22 g·mol−1
Exact mass
179.0735 Da
10
PubChem CID
18021

Functional groups

Aromatic ring
Nitrile

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 220-860-2
  • 2920-38-9
  • 4-Biphenylcarbonitrile
  • 4-Biphenylcarboxylic acid nitrile
  • 4-CYANOBIPHENYL
  • 4-Cyanodiphenyl
  • 4-cyano-1
  • 4-cyano-biphenyl
Show all 24 synonyms
  • 4-phenyl-benzonitrile
  • 4-phenylbenzenecarbonitrile
  • Biphenyl-4-carbonitrile
  • DTXCID9037953
  • DTXSID0062713
  • EC 220-860-2
  • EINECS 220-860-2
  • InChI=1/C13H9N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9
  • MFCD00001821
  • NSC 176013
  • NSC176013
  • RefChem:391093
  • [1,1'-Biphenyl]-4-carbonitrile
  • p-Cyanobiphenyl
  • p-Cyanophenyl benzene
  • p-Phenylbenzonitrile

Structure identifiers

Canonical SMILES
N#Cc1ccc(-c2ccccc2)cc1
Isomeric SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C13H9N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H
InChIKey
BPMBNLJJRKCCRT-UHFFFAOYSA-N
PubChem CID
18021

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 4-phenylbenzonitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-phenylbenzonitrile; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record