U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

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 F6P
Molecular Weight 144.9642
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 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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:53:22 GMT 2023
Edited
by admin
on Sat Dec 16 08:53:22 GMT 2023
Record UNII
816RS2NBPN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(1,5-CYCLOOCTADIENE)PYRIDINE(TRICYCLOHEXYLPHOSPHINE)IRIDIUM HEXAFLUOROPHOSPHATE
Common 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
MI  
Common Name English
CRABTREE'S CATALYST (HEXAFLUOROPHOSPHATE)
Common Name English
Code System Code Type Description
WIKIPEDIA
Crabtree's catalyst
Created by admin on Sat Dec 16 08:53:22 GMT 2023 , Edited by admin on Sat Dec 16 08:53:22 GMT 2023
PRIMARY
MERCK INDEX
m3824
Created by admin on Sat Dec 16 08:53:22 GMT 2023 , Edited by admin on Sat Dec 16 08:53:22 GMT 2023
PRIMARY Merck Index
FDA UNII
816RS2NBPN
Created by admin on Sat Dec 16 08:53:22 GMT 2023 , Edited by admin on Sat Dec 16 08:53:22 GMT 2023
PRIMARY
CAS
64536-78-3
Created by admin on Sat Dec 16 08:53:22 GMT 2023 , Edited by admin on Sat Dec 16 08:53:22 GMT 2023
PRIMARY
EPA CompTox
DTXSID10370362
Created by admin on Sat Dec 16 08:53:22 GMT 2023 , Edited by admin on Sat Dec 16 08:53:22 GMT 2023
PRIMARY