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Molecule record

3-phenylbenzonitrile

C13H9N

179.22 g/mol

Loading structure

Molecular properties

Formula
C13H9N
Molar mass
179.22 g·mol−1
Exact mass
179.0735 Da
10
PubChem CID
34340

Functional groups

Aromatic ring
Nitrile

Physical properties

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

Common names and synonyms

  • 24973-50-0
  • 28804-96-8
  • 3-CYANODIPHENYL
  • 3-Cyanobiphenyl
  • 3-phenyl-benzonitrile
  • 5-cyanobiphenyl
  • AKOS006346215
  • AS-38854
Show all 24 synonyms
  • DTXSID80951445
  • MFCD00236364
  • SCHEMBL1202557
  • SCHEMBL16779413
  • SCHEMBL270874
  • SCHEMBL29425207
  • SCHEMBL620686
  • SCHEMBL6354657
  • SCHEMBL6611797
  • SCHEMBL693857
  • SCHEMBL7526479
  • SY262832
  • SYHJILPZUNKNHQ-UHFFFAOYSA-N
  • [1,1'-Biphenyl]-3-carbonitrile
  • biphenyl-3-carbonitrile
  • m-Phenyl Benzonitrile

Structure identifiers

Canonical SMILES
N#Cc1cccc(-c2ccccc2)c1
Isomeric SMILES
C1=CC=C(C=C1)C2=CC=CC(=C2)C#N
InChI
InChI=1S/C13H9N/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9H
InChIKey
SYHJILPZUNKNHQ-UHFFFAOYSA-N
PubChem CID
34340

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 3-phenylbenzonitrile; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-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