5H-Dibenz[B,F]azepine-5-carbonitrile

C₁₅H₁₀N₂CAS 42787-75-7218.26 g/mol

Open in Covalent MOL file

Alkene Nitrile Tertiary amine

Properties

Molecular formula: C₁₅H₁₀N₂
Molar mass: 218.26 g/mol
Exact mass: 218.0844 Da
Melting point: 109–110 °C
logP: 3.79Crippen estimate
Polar surface area: 27.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

42787-75-7

SMILES

N#CN1c2ccccc2C=Cc2ccccc21

InChIKey

KMJHZCLHURUEKI-UHFFFAOYSA-N

InChI

InChI=1S/C15H10N2/c16-11-17-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)17/h1-10H

Weigh it out

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

Work with 5H-Dibenz[B,F]azepine-5-carbonitrile

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

Carbamazepine298-46-441 % similar 5H-Dibenz[B,F]azepine-5-carbonyl chloride33948-22-041 % similar 2,2′-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile]13001-39-336 % similar Dibenzazepine256-96-234 % similar 2-[2-[4-[2-(4-Cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile13001-38-232 % similar Cinnamonitrile4360-47-832 % similar Acenaphthylene208-96-831 % similar Bis-msb13280-61-030 % similar

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

Same formula

4,4'-(1-Methylene) bis-benzonitrile10466-37-2

Elsewhere

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