((-)-1,2-Bis(2R,5R-2,5-dimethylphospholano)benzene)(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate

C26H40BF4P2RhCAS 210057-23-1604.26 g/mol

Open in Covalent MOL file
PPFB−FFFRh+
AlkenePhosphine

Properties

Molecular formula
C26H40BF4P2Rh
Molar mass
604.26 g/mol
Exact mass
604.1689 Da
logP
9.01Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2
Stereocentres
R, R, R, Rin SMILES atom order

Hazards

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

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Identifiers

CAS number
210057-23-1
SMILES
C1=CCCC=CCC1.C[C@@H]1CC[C@@H](C)P1c1ccccc1P1[C@H](C)CC[C@H]1C.F[B-](F)(F)F.[Rh+]
InChIKey
FKGVQOXVEDXEEW-DBMWKRJKSA-N
InChI
InChI=1S/C18H28P2.C8H12.BF4.Rh/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h5-8,13-16H,9-12H2,1-4H3;1-2,7-8H,3-6H2;;/q;;-1;+1/t13-,14-,15-,16-;;;/m1.../s1

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Names and synonyms

2 names
  • Rhodium(1+), [(1,2,5,6-η)-1,5-cyclooctadiene][(2R,2′R,5R,5′R)-1,1′-(1,2-phenylene)bis[2,5-dimethylphospholane-κP]]-, tetrafluoroborate(1-) (1:1)
  • Rhodium(1+), [(1,2,5,6-η)-1,5-cyclooctadiene][(2R,2′R,5R,5′R)-1,1′-(1,2-phenylene)bis[2,5-dimethylphospholane-κP]]-, tetrafluoroborate(1-)

Work with ((-)-1,2-Bis(2R,5R-2,5-dimethylphospholano)benzene)(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

Bis(1,5-cyclooctadienyl)rhodium tetrafluoroborate35138-22-844 % similar (R,R)-(-)-1,2-Bis[(O-methoxyphenyl)(phenyl)phosphino]ethane(1,5-cyclooctadiene)rhodium (I) tetrafluoroborate56977-92-540 % similar Bis(1,5-cyclooctadiene)iridium(I) tetrafluoroborate35138-23-932 % similar Cyclopropyldiphenylsulfonium tetrafluoroborate33462-81-632 % similar (2S,4S)-(-)-2,4-Bis(diphenylphosphino)pentane77876-39-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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