chempirical

Triphenylpropylphosphonium

C21H22P+CAS 15912-75-1305.38 g/mol

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P+

Properties

Molecular formula
C21H22P+
Molar mass
305.38 g/mol
Exact mass
305.1459 Da
logP
4.39Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5

Identifiers

CAS number
15912-75-1
SMILES
CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
MSXNDXIAUQJHNS-UHFFFAOYSA-N
InChI
InChI=1S/C21H22P/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,2,18H2,1H3/q+1

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Names and synonyms

3 names
  • Phosphonium, triphenylpropyl-
  • Propyltriphenylphosphonium
  • Propyltriphenylphosphonium ion(1+)

Work with Triphenylpropylphosphonium

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

Propyltriphenylphosphonium bromide6228-47-387 % similar Butyltriphenylphosphonium chloride13371-17-067 % similar Butyltriphenylphosphonium bromide1779-51-767 % similar Pentyltriphenylphosphonium bromide21406-61-164 % similar Heptyltriphenylphosphonium bromide13423-48-862 % similar Hexadecyltriphenylphosphonium bromide14866-43-462 % similar Dodecyltriphenylphosphonium bromide15510-55-162 % similar Tetradecyltriphenylphosphonium bromide25791-20-262 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook