chempirical

Cyclohexyltriphenylphosphonium bromide

C24H26BrPCAS 7333-51-9425.35 g/mol

Open in Covalent MOL file
Br−P+

Properties

Molecular formula
C24H26BrP
Molar mass
425.35 g/mol
Exact mass
424.0956 Da
Melting point
255–259 °C
logP
2.32Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Identifiers

CAS number
7333-51-9
SMILES
[Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)C2CCCCC2)cc1
InChIKey
QRAKRDZMIONMRZ-UHFFFAOYSA-M
InChI
InChI=1S/C24H26P.BrH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-3,5-10,13-18,24H,4,11-12,19-20H2;1H/q+1;/p-1

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Names and synonyms

3 names
  • Phosphonium, cyclohexyltriphenyl-, bromide (1:1)
  • Phosphonium, cyclohexyltriphenyl-, bromide
  • Bromo(cyclohexyl)triphenylphosphorane

Work with Cyclohexyltriphenylphosphonium bromide

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

Cyclopentyltriphenylphosphonium bromide7333-52-096 % similar Cyclopropyltriphenylphosphonium bromide14114-05-780 % similar sec-Butyltriphenylphosphonium bromide3968-92-147 % similar (Cyclopropylmethyl)triphenylphosphonium bromide14799-82-747 % similar Tetramethylenebis[triphenylphosphonium] dibromide15546-42-647 % similar Bromomethyltriphenylphosphonium bromide1034-49-745 % similar Ethylenebis[triphenylphosphonium bromide]1519-45-545 % similar Tetraphenylphosphonium bromide2751-90-844 % similar

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

Elsewhere

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