chempirical

(p-Phenylenedimethylene)bis[triphenylphosphonium bromide]

C44H38Br2P2CAS 40817-03-6788.54 g/mol

Open in Covalent MOL file
Br−Br−P+P+

Properties

Molecular formula
C44H38Br2P2
Molar mass
788.54 g/mol
Exact mass
786.0816 Da
Melting point
above 300 °C
logP
2.68Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
10

Identifiers

CAS number
40817-03-6
SMILES
[Br-].[Br-].c1ccc([P+](Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2)cc1
InChIKey
ZZQVVCXWFPGKJD-UHFFFAOYSA-L
InChI
InChI=1S/C44H38P2.2BrH/c1-7-19-39(20-8-1)45(40-21-9-2-10-22-40,41-23-11-3-12-24-41)35-37-31-33-38(34-32-37)36-46(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44;;/h1-34H,35-36H2;2*1H/q+2;;/p-2

Weigh it out

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

Names and synonyms

9 names
  • Phosphonium, 1,1′-[1,4-phenylenebis(methylene)]bis[1,1,1-triphenyl-, bromide (1:2)
  • Phosphonium, [1,4-phenylenebis(methylene)]bis[triphenyl-, dibromide
  • [1,4-Bis(triphenylphosphoniummethyl)benzene]dibromide
  • P,P′-(p-Phenylenedimethylene)bis(triphenylphosphonium bromide)
  • p-Xylylenebis(triphenylphosphonium bromide)
  • 1,4-Xylylenebis(triphenylphosphonium bromide)
  • 1,4-Bis[(triphenylphosphonio)methyl]benzene dibromide
  • [1,4-Phenylenebis(methylene)]bis[triphenylphosphonium dibromide]
  • 1,4-Bis(triphenylphosphonium bromide)benzene

Work with (p-Phenylenedimethylene)bis[triphenylphosphonium 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

Benzyltriphenylphosphonium bromide1449-46-391 % similar (p-Methylbenzyl)triphenylphosphonium bromide2378-86-178 % similar 1,4-Xylylenebis(triphenylphosphonium chloride)1519-47-775 % similar Benzyltriphenylphosphonium chloride1100-88-568 % similar (4-Ethoxybenzyl)triphenylphosphonium bromide82105-88-266 % similar (4-Nitrobenzyl)triphenylphosphonium bromide2767-70-664 % similar Ethylenebis[triphenylphosphonium bromide]1519-45-563 % similar (p-Chlorobenzyl)triphenylphosphonium chloride1530-39-860 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook