(1,5-CYCLOOCTADIENE)PYRIDINE(TRICYCLOHEXYLPHOSPHINE)IRIDIUM HEXAFLUOROPHOSPHATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H33P.C8H12.C5H5N.F6P.Ir
Molecular Weight	804.89
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (1,5-CYCLOOCTADIENE)PYRIDINE(TRICYCLOHEXYLPHOSPHINE)IRIDIUM HEXAFLUOROPHOSPHATE

Structure Search

SMILES

[Ir+].C1=CC=NC=C1.F[P-](F)(F)(F)(F)F.C2CC=CCCC=C2.C3CCC(CC3)P(C4CCCCC4)C5CCCCC5

InChI

InChIKey=UJXHUUQZACSUOG-KJWGIZLLSA-N

InChI=1S/C18H33P.C8H12.C5H5N.F6P.Ir/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-6-8-7-5-3-1;1-2-4-6-5-3-1;1-7(2,3,4,5)6;/h16-18H,1-15H2;1-2,7-8H,3-6H2;1-5H;;/q;;;-1;+1/b;2-1-,8-7-;;;

HIDE SMILES / InChI

Molecular Formula	C18H33P
Molecular Weight	280.4284
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C5H5N
Molecular Weight	79.0999
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C8H12
Molecular Weight	108.1809
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	Ir
Molecular Weight	192.217
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	F6P
Molecular Weight	144.964181
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:21:52 GMT 2025` Edited by `admin` on `Mon Mar 31 22:21:52 GMT 2025`
Record UNII	816RS2NBPN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(1,5-CYCLOOCTADIENE)PYRIDINE(TRICYCLOHEXYLPHOSPHINE)IRIDIUM HEXAFLUOROPHOSPHATE

Common Name

English

CRABTREE'S CATALYST

Preferred Name

English

FELKIN-CRABTREE CATALYST

Common Name

English

((1,2,5,6-.ETA.)-1,5-CYCLOOCTADIENE)(PYRIDINE)(TRICYCLOHEXYLPHOSPHINE)IRIDIUM(1+) HEXAFLUOROPHOSPHATE(1-)

Common Name

English

CRABTREE'S CATALYST [MI]

Common Name

English

IRIDIUM(1+), ((1,2,5,6-.ETA.)-1,5-CYCLOOCTADIENE)(PYRIDINE)(TRICYCLOHEXYLPHOSPHINE)-, HEXAFLUOROPHOSPHATE(1-) (1:1)

Common Name

English

CRABTREE'S CATALYST (HEXAFLUOROPHOSPHATE)

Common Name

English

Code System Code Type Description

WIKIPEDIA

Crabtree's catalyst