chempirical

2-[2-[4-[2-(4-Cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile

C24H16N2CAS 13001-38-2332.41 g/mol

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NN
AlkeneNitrile

Properties

Molecular formula
C24H16N2
Molar mass
332.41 g/mol
Exact mass
332.1313 Da
Melting point
190–192 °C
logP
5.77Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
13001-38-2
SMILES
N#Cc1ccc(C=Cc2ccc(C=Cc3ccccc3C#N)cc2)cc1
InChIKey
OQVQNTRMZCGXIB-UHFFFAOYSA-N
InChI
InChI=1S/C24H16N2/c25-17-22-13-11-20(12-14-22)6-5-19-7-9-21(10-8-19)15-16-23-3-1-2-4-24(23)18-26/h1-16H

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Names and synonyms

4 names
  • Benzonitrile, 2-[2-[4-[2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]-
  • Benzonitrile, 2,4′-(p-phenylenedivinylene)di-
  • Fluorescent brightener ER-II
  • 1-(2-Cyanostyryl)-4-(4-cyanostyryl)benzene

Work with 2-[2-[4-[2-(4-Cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile

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

4-Cyanobenzaldehyde105-07-745 % similar 1,4-Dicyanobenzene623-26-744 % similar 3-(4-Cyanophenyl)-2-propenoic acid18664-39-644 % similar Phthalonitrile91-15-643 % similar Benzonitrile100-47-041 % similar Bis-msb13280-61-041 % similar 4-Cyanobiphenyl2920-38-941 % similar [1,1′-Biphenyl]-4,4′-dicarbonitrile1591-30-640 % similar

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

Same formula

11,12-Dihydro-11-phenylindolo[2,3-A]carbazole1024598-06-8 5-Phenyl-5,12- dihydroindolo [3,2-A]carbazole1247053-55-9 2,2′-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile]13001-39-3 4,4′-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile]13001-40-6 4,7-Diphenyl-1,10-phenanthroline1662-01-7

Elsewhere

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