11H-Dibenzo[B,E]azepine-6-carbonitrile

C₁₅H₁₀N₂CAS 80012-69-7218.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₀N₂
Molar mass: 218.26 g/mol
Exact mass: 218.0844 Da
logP: 3.24Crippen estimate
Polar surface area: 36.1 Å²
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. Search the SDS library

Identifiers

CAS number

80012-69-7

SMILES

C1C2=CC=CC=C2C(=NC3=CC=CC=C31)C#N

InChIKey

ABWGCWCVNGSQQM-UHFFFAOYSA-N

InChI

InChI=1S/C15H10N2/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)17-15/h1-8H,9H2

Weigh it out

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

Work with 11H-Dibenzo[B,E]azepine-6-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

Anthrone90-44-840 % similar Oxindole59-48-339 % similar Bicyclo(4.1.0)hepta-1,3,5-triene4646-69-933 % similar Isoindolinone480-91-133 % similar 9,10-Dihydroanthracene613-31-033 % similar Phoxim14816-18-333 % similar 2-(Cyanomethyl)benzoic acid6627-91-433 % similar (-)-Vasicine6159-55-332 % similar

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

Same formula

4,4'-(1-Methylene) bis-benzonitrile10466-37-2 5H-Dibenz(b,f)azepine-5-carbonitrile42787-75-7

Elsewhere

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