chempirical

Hexadecyltriphenylphosphonium bromide

C34H48BrPCAS 14866-43-4567.64 g/mol

Open in Covalent MOL file
P+Br−

Properties

Molecular formula
C34H48BrP
Molar mass
567.64 g/mol
Exact mass
566.2677 Da
Melting point
101 °C
logP
6.47Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
18

Identifiers

CAS number
14866-43-4
SMILES
CCCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey
UXMZNEHSMYESLH-UHFFFAOYSA-M
InChI
InChI=1S/C34H48P.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-31-35(32-25-18-15-19-26-32,33-27-20-16-21-28-33)34-29-22-17-23-30-34;/h15-23,25-30H,2-14,24,31H2,1H3;1H/q+1;/p-1

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Names and synonyms

3 names
  • Phosphonium, hexadecyltriphenyl-, bromide (1:1)
  • Phosphonium, hexadecyltriphenyl-, bromide
  • Cetyltriphenylphosphonium bromide

Work with Hexadecyltriphenylphosphonium 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

Heptyltriphenylphosphonium bromide13423-48-8100 % similar Dodecyltriphenylphosphonium bromide15510-55-1100 % similar Tetradecyltriphenylphosphonium bromide25791-20-2100 % similar Decyltriphenylphosphonium bromide32339-43-8100 % similar Octyltriphenylphosphonium bromide42036-78-2100 % similar Hexyltriphenylphosphonium bromide4762-26-9100 % similar Pentyltriphenylphosphonium bromide21406-61-196 % similar Butyltriphenylphosphonium bromide1779-51-786 % similar

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

Elsewhere

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