(2S)-1-[(1S)-1-[Bis(3,5-dimethylphenyl)phosphino]ethyl]-2-(diphenylphosphino)ferrocene

C₄₀H₄₀FeP₂CAS 223121-07-1638.55 g/mol

Open in Covalent MOL file

Phosphine

Properties

Molecular formula: C₄₀H₄₀FeP₂
Molar mass: 638.55 g/mol
Exact mass: 638.1955 Da
logP: 8.99Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 7
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

223121-07-1

SMILES

Cc1cc(C)cc(P(c2cc(C)cc(C)c2)[C@@H](C)[c-]2cccc2P(c2ccccc2)c2ccccc2)c1.[Fe+2].c1cc[cH-]c1

InChIKey

WXUUGQBFQWHYJL-UJXPALLWSA-N

InChI

InChI=1S/C35H35P2.C5H5.Fe/c1-25-19-26(2)22-32(21-25)36(33-23-27(3)20-28(4)24-33)29(5)34-17-12-18-35(34)37(30-13-8-6-9-14-30)31-15-10-7-11-16-31;1-2-4-5-3-1;/h6-24,29H,1-5H3;1-5H;/q2*-1;+2/t29-;;/m0../s1

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Names and synonyms

1 names

Ferrocene, 1-[(1S)-1-[bis(3,5-dimethylphenyl)phosphino]ethyl]-2-(diphenylphosphino)-, (2S)-

Work with (2S)-1-[(1S)-1-[Bis(3,5-dimethylphenyl)phosphino]ethyl]-2-(diphenylphosphino)ferrocene

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

(1S)-1-[Bis(1,1-dimethylethyl)phosphino]-2-[(1S)-1-(diphenylphosphino)ethyl]ferrocene223121-01-562 % similar (1S)-1-[Bis(1,1-dimethylethyl)phosphino]-2-[(1S)-1-[bis(2-methylphenyl)phosphino]ethyl]ferrocene849924-77-250 % similar Sl-J009-1158923-11-641 % similar Chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium32993-05-833 % similar Diphenyl-P-tolylphosphine1031-93-231 % similar Tri-M-tolylphosphine6224-63-131 % similar 1,1'-Bis(diphenylphosphino)ferrocene12150-46-830 % similar

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

Elsewhere

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