chempirical

Triphenyl(3-phenylpropyl)phosphonium bromide

C27H26BrPCAS 7484-37-9461.38 g/mol

Open in Covalent MOL file
Br−P+

Properties

Molecular formula
C27H26BrP
Molar mass
461.38 g/mol
Exact mass
460.0956 Da
Melting point
205 °C
logP
2.62Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
7

Identifiers

CAS number
7484-37-9
SMILES
[Br-].c1ccc(CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIKey
RPUZOJFXAPSSJD-UHFFFAOYSA-M
InChI
InChI=1S/C27H26P.BrH/c1-5-14-24(15-6-1)16-13-23-28(25-17-7-2-8-18-25,26-19-9-3-10-20-26)27-21-11-4-12-22-27;/h1-12,14-15,17-22H,13,16,23H2;1H/q+1;/p-1

Weigh it out

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

Names and synonyms

4 names
  • Phosphonium, triphenyl(3-phenylpropyl)-, bromide (1:1)
  • Phosphonium, triphenyl(3-phenylpropyl)-, bromide
  • (3-Phenylpropyl)triphenylphosphonium bromide
  • NSC 110598

Work with Triphenyl(3-phenylpropyl)phosphonium 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

Tetramethylenebis[triphenylphosphonium] dibromide15546-42-679 % similar Ethylenebis[triphenylphosphonium bromide]1519-45-571 % similar Butyltriphenylphosphonium bromide1779-51-766 % similar (3-Bromopropyl)triphenylphosphonium bromide3607-17-866 % similar Pentyltriphenylphosphonium bromide21406-61-163 % similar Benzyltriphenylphosphonium bromide1449-46-363 % similar Heptyltriphenylphosphonium bromide13423-48-861 % similar Hexadecyltriphenylphosphonium bromide14866-43-461 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook