(1S)-1-[Bis(1,1-dimethylethyl)phosphino]-2-[(1S)-1-(diphenylphosphino)ethyl]ferrocene

C₃₂H₄₀FeP₂CAS 223121-01-5542.46 g/mol

Open in Covalent MOL file

Phosphine

Properties

Molecular formula: C₃₂H₄₀FeP₂
Molar mass: 542.46 g/mol
Exact mass: 542.1955 Da
logP: 8.71Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

223121-01-5

SMILES

C[C@@H]([c-]1cccc1P(C(C)(C)C)C(C)(C)C)P(c1ccccc1)c1ccccc1.[Fe+2].c1cc[cH-]c1

InChIKey

YHYNLRXFTNTBNX-FGJQBABTSA-N

InChI

InChI=1S/C27H35P2.C5H5.Fe/c1-21(24-19-14-20-25(24)29(26(2,3)4)27(5,6)7)28(22-15-10-8-11-16-22)23-17-12-9-13-18-23;1-2-4-5-3-1;/h8-21H,1-7H3;1-5H;/q2*-1;+2/t21-;;/m0../s1

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Names and synonyms

1 names

Ferrocene, 1-[bis(1,1-dimethylethyl)phosphino]-2-[(1S)-1-(diphenylphosphino)ethyl]-, (1S)-

Work with (1S)-1-[Bis(1,1-dimethylethyl)phosphino]-2-[(1S)-1-(diphenylphosphino)ethyl]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-[bis(2-methylphenyl)phosphino]ethyl]ferrocene849924-77-272 % similar (2S)-1-[(1S)-1-[Bis(3,5-dimethylphenyl)phosphino]ethyl]-2-(diphenylphosphino)ferrocene223121-07-162 % similar Sl-J009-1158923-11-654 % similar tert-Butyldiphenylphosphine6002-34-231 % similar (1-Methylethyl)diphenylphosphine6372-40-331 % similar 1,1′-[(1S,2S)-1,2-Dimethyl-1,2-ethanediyl]bis[1,1-diphenylphosphine]64896-28-231 % similar Chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium32993-05-831 % similar

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

Elsewhere

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