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

C₃₄H₄₄FeP₂CAS 849924-77-2570.52 g/mol

Open in Covalent MOL file

Phosphine

Properties

Molecular formula: C₃₄H₄₄FeP₂
Molar mass: 570.52 g/mol
Exact mass: 570.2268 Da
logP: 9.32Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

849924-77-2

SMILES

Cc1ccccc1P(c1ccccc1C)[C@@H](C)[c-]1cccc1P(C(C)(C)C)C(C)(C)C.[Fe+2].c1cc[cH-]c1

InChIKey

MAQJSOBHAZTNFV-IFUPQEAVSA-N

InChI

InChI=1S/C29H39P2.C5H5.Fe/c1-21-15-10-12-18-25(21)30(26-19-13-11-16-22(26)2)23(3)24-17-14-20-27(24)31(28(4,5)6)29(7,8)9;1-2-4-5-3-1;/h10-20,23H,1-9H3;1-5H;/q2*-1;+2/t23-;;/m0../s1

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Names and synonyms

1 names

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

Work with (1S)-1-[Bis(1,1-dimethylethyl)phosphino]-2-[(1S)-1-[bis(2-methylphenyl)phosphino]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-(diphenylphosphino)ethyl]ferrocene223121-01-572 % similar Sl-J009-1158923-11-650 % similar (2S)-1-[(1S)-1-[Bis(3,5-dimethylphenyl)phosphino]ethyl]-2-(diphenylphosphino)ferrocene223121-07-150 % similar 2-(Di-tert-butylphosphino)-2′-methyl-1,1′-biphenyl255837-19-537 % similar

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

Elsewhere

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