chempirical

Tetramethylenebis[triphenylphosphonium] dibromide

C40H38Br2P2CAS 15546-42-6740.50 g/mol

Open in Covalent MOL file
Br−Br−P+P+

Properties

Molecular formula
C40H38Br2P2
Molar mass
740.50 g/mol
Exact mass
738.0816 Da
Melting point
293 °C
logP
1.76Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
11

Identifiers

CAS number
15546-42-6
SMILES
[Br-].[Br-].c1ccc([P+](CCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIKey
WTFXVDWCEPLDDY-UHFFFAOYSA-L
InChI
InChI=1S/C40H38P2.2BrH/c1-7-21-35(22-8-1)41(36-23-9-2-10-24-36,37-25-11-3-12-26-37)33-19-20-34-42(38-27-13-4-14-28-38,39-29-15-5-16-30-39)40-31-17-6-18-32-40;;/h1-18,21-32H,19-20,33-34H2;2*1H/q+2;;/p-2

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

Names and synonyms

6 names
  • Phosphonium, 1,1′-(1,4-butanediyl)bis[1,1,1-triphenyl-, bromide (1:2)
  • Phosphonium, tetramethylenebis[triphenyl-, dibromide
  • Phosphonium, 1,4-butanediylbis[triphenyl-, dibromide
  • Tetramethylenebis[triphenylphosphonium bromide]
  • 1,4-Butanediylbis(triphenylphosphonium) dibromide
  • Butane-1,4-bis(triphenylphosphonium) dibromide

Work with Tetramethylenebis[triphenylphosphonium] dibromide

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

Ethylenebis[triphenylphosphonium bromide]1519-45-581 % similar Triphenyl(3-phenylpropyl)phosphonium bromide7484-37-979 % similar Pentyltriphenylphosphonium bromide21406-61-177 % similar Heptyltriphenylphosphonium bromide13423-48-874 % similar Hexadecyltriphenylphosphonium bromide14866-43-474 % similar Dodecyltriphenylphosphonium bromide15510-55-174 % similar Tetradecyltriphenylphosphonium bromide25791-20-274 % similar Decyltriphenylphosphonium bromide32339-43-874 % similar

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

Elsewhere

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