2-(Triphenylphosphoranylidene)acetonitrile

C₂₀H₁₆NPCAS 16640-68-9301.33 g/mol

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Properties

Molecular formula: C₂₀H₁₆NP
Molar mass: 301.33 g/mol
Exact mass: 301.1020 Da
Melting point: 192 °C
logP: 3.31Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Identifiers

CAS number

16640-68-9

SMILES

N#CC=P(c1ccccc1)(c1ccccc1)c1ccccc1

InChIKey

APISVOVOJVZIBA-UHFFFAOYSA-N

InChI

InChI=1S/C20H16NP/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17H

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Names and synonyms

12 names

Acetonitrile, 2-(triphenylphosphoranylidene)-
Acetonitrile, (triphenylphosphoranylidene)-
(Cyanomethylene)triphenylphosphorane
Triphenylcyanomethylenephosphorane
Cyanomethyltriphenylphosphonium ylide
(Cyanomethylene)triphenylphosphine
Triphenylphosphoranylidenacetonitrile
(Cyano)(triphenylphosphoranylidene)methane
(Triphenylphosphoranylidene)acetonitrile
NSC 135204
(Cyanomethylidene)triphenylphosphorane
2-(Triphenyl-λ5-phosphanylidene)acetonitrile

Work with 2-(Triphenylphosphoranylidene)acetonitrile

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

2-(Triphenylphosphoranylidene)acetaldehyde2136-75-643 % similar Cinnamonitrile4360-47-839 % similar 1-(Triphenylphosphoranylidene)-2-propanone1439-36-738 % similar 1-Phenyl-2-(triphenylphosphoranylidene)ethanone859-65-438 % similar Diphenylphosphinic chloride1499-21-436 % similar P-Phenylphosphonothioic dichloride3497-00-536 % similar Phenylphosphonic dichloride824-72-636 % similar Carbomethoxymethylenetriphenylphosphorane2605-67-635 % similar

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

Elsewhere

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