chempirical

(R,R)-(-)-1,2-Bis[(O-methoxyphenyl)(phenyl)phosphino]ethane(1,5-cyclooctadiene)rhodium (I) tetrafluoroborate

C36H40BF4O2P2Rh−CAS 56977-92-5756.37 g/mol

Open in Covalent MOL file
B−FFFFOPPORh
AlkeneEtherPhosphine

Properties

Molecular formula
C36H40BF4O2P2Rh−
Molar mass
756.37 g/mol
Exact mass
756.1588 Da
logP
9.24Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
9
Stereocentres
R, Rin SMILES atom order
Double bonds
Z, ZE/Z, in SMILES order

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
56977-92-5
SMILES
[B-](F)(F)(F)F.COC1=CC=CC=C1[P@@](C2=CC=CC=C2)CC[P@@](C3=CC=CC=C3OC)C4=CC=CC=C4.C1/C=C\CC/C=C\C1.[Rh]
InChIKey
DCGUTTVLWMBBAX-PFAWBQHYSA-N
InChI
InChI=1S/C28H28O2P2.C8H12.BF4.Rh/c1-29-25-17-9-11-19-27(25)31(23-13-5-3-6-14-23)21-22-32(24-15-7-4-8-16-24)28-20-12-10-18-26(28)30-2;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h3-20H,21-22H2,1-2H3;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t31-,32-;;;/m1.../s1

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Work with (R,R)-(-)-1,2-Bis[(O-methoxyphenyl)(phenyl)phosphino]ethane(1,5-cyclooctadiene)rhodium (I) tetrafluoroborate

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

((-)-1,2-Bis(2R,5R-2,5-dimethylphospholano)benzene)(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate210057-23-140 % similar Tris(2-methoxyphenyl)phosphine4731-65-138 % similar (2'-Methoxy-[1,1'-biphenyl]-2-yl)diphenylphosphine402822-70-237 % similar (2',6'-Dimethoxy-[1,1'-biphenyl]-2-yl)diphenylphosphine819867-24-835 % similar 1,2-Bis(diphenylphosphino)ethane1663-45-234 % similar Dpephos166330-10-533 % similar Bis[1,2-bis(diphenylphosphino)ethane]palladium(0)31277-98-232 % similar Ethyldiphenylphosphine607-01-232 % similar

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

Elsewhere

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