chempirical

(But-2-ene-1,4-diyl)bis(triphenylphosphanium) dichloride

C40H36Cl2P2CAS 106423-29-4649.58 g/mol

Open in Covalent MOL file
P+P+Cl−Cl−
Alkene

Properties

Molecular formula
C40H36Cl2P2
Molar mass
649.58 g/mol
Exact mass
648.1669 Da
logP
1.54Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
10

Identifiers

CAS number
106423-29-4
SMILES
C1=CC=C(C=C1)[P+](CC=CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-].[Cl-]
InChIKey
OOACLPDZHDFCQP-UHFFFAOYSA-L
InChI
InChI=1S/C40H36P2.2ClH/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;;/h1-32H,33-34H2;2*1H/q+2;;/p-2

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Names and synonyms

1 names
  • 2-Butene-1,4-bis(triphenylphosphonium chloride)

Work with (But-2-ene-1,4-diyl)bis(triphenylphosphanium) dichloride

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

Allyltriphenylphosphonium chloride18480-23-467 % similar (Formylmethyl)triphenylphosphonium chloride62942-43-267 % similar Benzyltriphenylphosphonium chloride1100-88-556 % similar 1,4-Xylylenebis(triphenylphosphonium chloride)1519-47-756 % similar (Hydroxymethyl)triphenylphosphonium chloride5293-83-456 % similar (Chloromethyl)triphenylphosphonium chloride5293-84-556 % similar Ethyltriphenylphosphonium chloride896-33-356 % similar (Cyanomethyl)triphenylphosphonium chloride4336-70-352 % similar

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

Elsewhere

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