chempirical

Isopropyltriphenylphosphonium iodide

C21H22IPCAS 24470-78-8432.29 g/mol

Open in Covalent MOL file
P+I−

Properties

Molecular formula
C21H22IP
Molar mass
432.29 g/mol
Exact mass
432.0504 Da
Melting point
195–196 °C
logP
1.39Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Identifiers

CAS number
24470-78-8
SMILES
CC(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIKey
HHBXWXJLQYJJBW-UHFFFAOYSA-M
InChI
InChI=1S/C21H22P.HI/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-18H,1-2H3;1H/q+1;/p-1

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Names and synonyms

6 names
  • Phosphonium, (1-methylethyl)triphenyl-, iodide (1:1)
  • Phosphonium, isopropyltriphenyl-, iodide
  • Phosphonium, (1-methylethyl)triphenyl-, iodide
  • Triphenylisopropylphosphonium iodide
  • NSC 140615
  • (1-Methylethyl)triphenylphosphonium iodide

Work with Isopropyltriphenylphosphonium iodide

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

Methyltriphenylphosphonium iodide2065-66-950 % similar Tetraphenylphosphonium iodide2065-67-050 % similar Ethyltriphenylphosphonium iodide4736-60-145 % similar sec-Butyltriphenylphosphonium bromide3968-92-142 % similar Cyclopropyltriphenylphosphonium bromide14114-05-740 % similar (α-Methylphenacyl)triphenylphosphonium bromide2689-63-638 % similar Cyclopentyltriphenylphosphonium bromide7333-52-038 % similar Isobutyltriphenylphosphonium bromide22884-29-336 % similar

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

Elsewhere

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