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

C₂₄H₁₆N₂CAS 13001-39-3332.41 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₄H₁₆N₂
Molar mass: 332.41 g/mol
Exact mass: 332.1313 Da
Melting point: 229–231 °C
logP: 5.77Crippen estimate
Polar surface area: 47.6 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Identifiers

CAS number

13001-39-3

SMILES

N#Cc1ccccc1C=Cc1ccc(C=Cc2ccccc2C#N)cc1

InChIKey

RBABXJPJIHMBBP-UHFFFAOYSA-N

InChI

InChI=1S/C24H16N2/c25-17-23-7-3-1-5-21(23)15-13-19-9-11-20(12-10-19)14-16-22-6-2-4-8-24(22)18-26/h1-16H

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Names and synonyms

8 names

Benzonitrile, 2,2′-(1,4-phenylenedi-2,1-ethenediyl)bis-
Benzonitrile, 2,2′-(p-phenylenedivinylene)di-
ER 1
ER-I
Fluorescent agent ER
2,2′-(1,4-Phenylenebis(ethene-2,1-diyl))dibenzonitrile
1,4-Bis(2-cyanostyryl)benzene
Fluorescent brightener CPA

Work with 2,2′-(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

Phthalonitrile91-15-650 % similar Bis-msb13280-61-047 % similar 2-Bromobenzonitrile2042-37-741 % similar (E)-Stilbene103-30-040 % similar 2-Aminobenzonitrile1885-29-640 % similar 2-Fluorobenzonitrile394-47-840 % similar 2-Iodobenzonitrile4387-36-440 % similar 2-Hydroxybenzonitrile611-20-140 % 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 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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