chempirical

2,3-Diphenylbutanedinitrile

C16H12N2CAS 15146-07-3232.29 g/mol

Open in Covalent MOL file
NN
Nitrile

Properties

Molecular formula
C16H12N2
Molar mass
232.29 g/mol
Exact mass
232.1000 Da
logP
3.60Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
15146-07-3
SMILES
C1=CC=C(C=C1)C(C#N)C(C#N)C2=CC=CC=C2
InChIKey
KJPHABUGXMBVHI-UHFFFAOYSA-N
InChI
InChI=1S/C16H12N2/c17-11-15(13-7-3-1-4-8-13)16(12-18)14-9-5-2-6-10-14/h1-10,15-16H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 2,3-Diphenylsuccinonitrile
  • Alpha,beta-Dicyanobibenzyl
  • meso-2,3-Diphenylsuccinonitrile
  • meso-1,2-DICYANO-1,2-DIPHENYLETHANE
  • Cambridge id 5310904
  • 2,3-Diphenylsuccino-nitrile
  • 2,3-Diphenyl-butanedinitrile
  • 1,2-(1,1-Phenylnitrile)ethnae

Work with 2,3-Diphenylbutanedinitrile

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

(+)-Mandelonitrile10020-96-954 % similar 2-Phenylpropionitrile1823-91-254 % similar Mandelonitrile532-28-554 % similar α-Aminophenylacetonitrile hydrochloride53641-60-448 % similar 4-Chloro-α-(1-methylethyl)benzeneacetonitrile2012-81-945 % similar α-Phenyl-2-pyridineacetonitrile5005-36-743 % 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

1,4-Bis(pyrid-4-yl)benzene113682-56-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook