chempirical

4,4′-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile]

C24H16N2CAS 13001-40-6332.41 g/mol

Open in Covalent MOL file
NN
AlkeneNitrile

Properties

Molecular formula
C24H16N2
Molar mass
332.41 g/mol
Exact mass
332.1313 Da
Melting point
278–279 °C
logP
5.77Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
13001-40-6
SMILES
N#Cc1ccc(C=Cc2ccc(C=Cc3ccc(C#N)cc3)cc2)cc1
InChIKey
KIAAMJMIIHTGBH-UHFFFAOYSA-N
InChI
InChI=1S/C24H16N2/c25-17-23-13-9-21(10-14-23)7-5-19-1-2-20(4-3-19)6-8-22-11-15-24(18-26)16-12-22/h1-16H

Weigh it out

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

Names and synonyms

11 names
  • Benzonitrile, 4,4′-(1,4-phenylenedi-2,1-ethenediyl)bis-
  • Benzonitrile, 4,4′-(p-phenylenedivinylene)di-
  • 1,4-Bis(p-cyanostyryl)benzene
  • C.I. Fluorescent brightener 199
  • Palanil brilliant white R
  • Fluorescent brightener 199
  • C.I. 40705
  • 1,4-Bis(4-cyanostyryl)benzene
  • Ultraphor RN
  • Blankophor ER
  • 4,4′-(p-Phenylenediethene-2,1-diyl)bisbenzonitrile

Work with 4,4′-(1,4-Phenylenedi-2,1-ethenediyl)bis[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

1,4-Dicyanobenzene623-26-767 % similar 4-Cyanobenzaldehyde105-07-763 % similar [1,1′-Biphenyl]-4,4′-dicarbonitrile1591-30-657 % similar 3-(4-Cyanophenyl)-2-propenoic acid18664-39-657 % similar Benzonitrile100-47-052 % similar 4-Methylbenzonitrile104-85-850 % similar 4,4'-(1-Methylene) bis-benzonitrile10466-37-250 % similar 4-Fluorobenzonitrile1194-02-150 % 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-[4-[2-(4-Cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile13001-38-2 2,2′-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile]13001-39-3 4,7-Diphenyl-1,10-phenanthroline1662-01-7

Elsewhere

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