5H-Dibenz(b,f)azepine-5-carbonitrile

C15H10N2CAS 42787-75-7218.26 g/mol

Open in Covalent MOL file
NN
AlkeneNitrileTertiary 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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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Names and synonyms

1 names
  • 5H-Dibenz[B,F]azepine-5-carbonitrile

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 Dibenz(b,f)azepine256-96-234 % similar 2-[2-[4-[2-(4-Cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile13001-38-232 % similar Cinnamonitrile1885-38-732 % similar Cinnamonitrile4360-47-832 % similar Acenaphthylene208-96-831 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,4'-(1-Methylene) bis-benzonitrile10466-37-2 11H-Dibenzo[B,E]azepine-6-carbonitrile80012-69-7

Elsewhere

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