chempirical

1,4-Bis(diphenylphosphino)benzene

C30H24P2CAS 1179-06-2446.47 g/mol

Open in Covalent MOL file
PP
Phosphine

Properties

Molecular formula
C30H24P2
Molar mass
446.47 g/mol
Exact mass
446.1353 Da
logP
5.20Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6

Identifiers

CAS number
1179-06-2
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=C(C=C3)P(C4=CC=CC=C4)C5=CC=CC=C5
InChIKey
LIMAMKTXDWVDFW-UHFFFAOYSA-N
InChI
InChI=1S/C30H24P2/c1-5-13-25(14-6-1)31(26-15-7-2-8-16-26)29-21-23-30(24-22-29)32(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-24H

Weigh it out

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

Work with 1,4-Bis(diphenylphosphino)benzene

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

Triphenylphosphine603-35-092 % similar Tetrakis(triphenylphosphine)palladium14221-01-375 % similar Tetrakis(triphenylphosphine)platinum14221-02-475 % similar Hydrotetrakis(triphenylphosphine)rhodium18284-36-175 % similar Triphenylphosphonium bromide6399-81-175 % similar Diphenyl-P-tolylphosphine1031-93-268 % similar Dichlorotris(triphenylphosphine)ruthenium(II)15529-49-467 % similar Bis(triphenylphosphine)palladium chloride13965-03-263 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook