chempirical

Phosphine oxide, [1,1'-binaphthalene]-2,2'-diylbis

C44H32O2P2CAS 86632-33-9654.69 g/mol

Open in Covalent MOL file
POPO

Properties

Molecular formula
C44H32O2P2
Molar mass
654.69 g/mol
Exact mass
654.1878 Da
logP
8.94Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
86632-33-9
SMILES
C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(=O)(C7=CC=CC=C7)C8=CC=CC=C8
InChIKey
SEZSRPYCOMAEDL-UHFFFAOYSA-N
InChI
InChI=1S/C44H32O2P2/c45-47(35-19-5-1-6-20-35,36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)48(46,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H

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Work with Phosphine oxide, [1,1'-binaphthalene]-2,2'-diylbis

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

Triphenylphosphine oxide791-28-650 % similar Bis[2-[(oxo)diphenylphosphino]phenyl] Ether808142-23-650 % similar (±)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate35193-63-640 % similar (+)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate35193-64-740 % similar (-)-1,1′-Binaphthyl-2,2′-diyl hydrogen phosphate39648-67-440 % similar Bis(4-fluorophenyl)phenylphosphine oxide54300-32-240 % similar Phenanthrene85-01-839 % similar 2,8-Bis(diphenylphosphoryl)dibenzo[b,d]furan911397-27-838 % similar

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

Elsewhere

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