CAS 167416-28-6|Josiphos SL-J003-1|(R)-1-[(SP)-2-(Dicyclohexylphosphino)ferrocenyl]ethyldicyclohexylphosphine|λ<sup>2</sup>-iron(2+) ion 3-(dicyclohexylphosphanyl)-4-[(1R)-1-(dicyclohexylphosphanyl...

General Information

Structure

Molecular Formula

C₃₆H₅₆FeP₂

Molecular Mass

606.622362

Exact Mass

606.32066255

Charge

InChI

InChI=1S/C31H51P2.C5H5.Fe/c1-25(32(26-15-6-2-7-16-26)27-17-8-3-9-18-27)30-23-14-24-31(30)33(28-19-10-4-11-20-28)29-21-12-5-13-22-29;1-2-4-5-3-1;/h14,23-29H,2-13,15-22H2,1H3;1-5H;/q2*-1;+2/t25-;;/m1../s1

InChIKey

LHVQVTRNQNYQQT-KHZPMNTOSA-N

Canonic Smiles

[CH-]1C=CC=C1.C[C@H](C1=C[CH-]C=C1P(C1CCCCC1)C1CCCCC1)P(C1CCCCC1)C1CCCCC1.[Fe+2]

Isomeric Smiles

C[C@H](C1=C[CH-]C=C1P(C1CCCCC1)C1CCCCC1)P(C1CCCCC1)C1CCCCC1.C1=C[CH-]C=C1.[Fe+2]

Calculated Properties

JChem

Acid pKa

15.842381

H Acceptors

H Donor

LogD (pH = 5.5)

6.8755026

LogD (pH = 7.4)

6.8747644

Log P

9.0579

Molar Refractivity

151.6091

Polarizability

59.169914

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

Josiphos SL-J003-1(R)-1-[(SP)-2-(Dicyclohexylphosphino)ferrocenyl]ethyldicyclohexylphosphine(1R)-1-(Dicyclohexylphosphino)-2-[(1R)-1-(dicyclohexylphosphino)ethyl]ferrocene (acc to CAS)(1R)-1-(二环己基膦)-2-[(1R)-1-(二环己基膦)乙基]二茂铁（符合 CAS 标准）(R)-1-[(SP)-2-(二环己基膦)二茂铁基]乙基二环己基膦

IUPAC name

λ²-iron(2+) ion 3-(dicyclohexylphosphanyl)-4-[(1R)-1-(dicyclohexylphosphanyl)ethyl]cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide

IUPAC Traditional name

λ²-iron(2+) ion 3-(dicyclohexylphosphanyl)-4-[(1R)-1-(dicyclohexylphosphanyl)ethyl]cyclopenta-2,4-dien-1-ide cyclopentadienide

Names and Identifiers

Registration numbers

CAS Number

167416-28-6

MDL Number

MFCD01074441

PubChem SID

24888989162230452