9,10-Dicyanoanthracene

C₁₆H₈N₂CAS 1217-45-4228.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₈N₂
Molar mass: 228.25 g/mol
Exact mass: 228.0687 Da
Melting point: 328–330 °C
logP: 3.74Crippen estimate
Polar surface area: 47.6 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

1217-45-4

SMILES

N#Cc1c2ccccc2c(C#N)c2ccccc12

InChIKey

BIOPPFDHKHWJIA-UHFFFAOYSA-N

InChI

InChI=1S/C16H8N2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-8H

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Names and synonyms

4 names

9,10-Anthracenedicarbonitrile
DCA (sensitizer)
DCA
NSC 17556

Work with 9,10-Dicyanoanthracene

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

9-Cyanoanthracene1210-12-467 % similar 2,6-Dichlorobenzonitrile1194-65-650 % similar 2,6-Difluorobenzonitrile1897-52-548 % similar 2,6-Dimethylbenzonitrile6575-13-948 % similar Phthalonitrile91-15-647 % similar 1-Naphthalenecarbonitrile86-53-346 % similar 3,6-Dihydroxy-1,2-benzenedicarbonitrile4733-50-045 % similar Benzonitrile100-47-045 % similar

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

Elsewhere

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