chempirical

Diphenylacetonitrile

C14H11NCAS 86-29-3193.25 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C14H11N
Molar mass
193.25 g/mol
Exact mass
193.0891 Da
Melting point
74.3 °C
Boiling point
182–184 °C (at 11 Torr)
logP
3.34Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
86-29-3
SMILES
N#CC(c1ccccc1)c1ccccc1
InChIKey
NEBPTMCRLHKPOB-UHFFFAOYSA-N
InChI
InChI=1S/C14H11N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H

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Names and synonyms

12 names
  • Benzeneacetonitrile, α-phenyl-
  • Acetonitrile, diphenyl-
  • α-Phenylbenzeneacetonitrile
  • Dipan
  • Diphenyl-α-cyanomethane
  • Diphenylmethyl cyanide
  • α-Phenylbenzyl cyanide
  • Diphenatrile
  • Benzhydryl cyanide
  • α-Phenylphenylacetonitrile
  • NSC 130268
  • NSC 884

Reactions

Work with Diphenylacetonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

α-Phenyl-2-pyridineacetonitrile5005-36-759 % similar (+)-Mandelonitrile10020-96-954 % similar 2-Phenylpropionitrile1823-91-254 % similar Mandelonitrile532-28-554 % similar α-Aminophenylacetonitrile hydrochloride53641-60-448 % similar α-Ethylbenzeneacetonitrile769-68-648 % similar β-Phenylbenzenepropanenitrile2286-54-642 % similar 2-(2-Phenyldiazenyl)propanedinitrile6017-21-639 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Cyano-4′-methylbiphenyl114772-53-1 N-Vinylcarbazole1484-13-5 Polyvinylcarbazole25067-59-8 Dibenzazepine256-96-2 4′-Methyl[1,1′-biphenyl]-4-carbonitrile50670-50-3 Anthramine610-49-1 9-Methylacridine611-64-3 2-Aminoanthracene613-13-8

Elsewhere

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