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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H33P.C8H12.C5H5N.BF4.Ir
Molecular Weight 746.731
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (1,5-CYCLOOCTADIENE)PYRIDINE(TRICYCLOHEXYLPHOSPHINE)IRIDIUM TETRAFLUOROBORATE

SMILES

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

InChI

InChIKey=CTEDKWFFIZHUOO-KJWGIZLLSA-N
InChI=1S/C18H33P.C8H12.C5H5N.BF4.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;2-1(3,4)5;/h16-18H,1-15H2;1-2,7-8H,3-6H2;1-5H;;/q;;;-1;+1/b;2-1-,8-7-;;;

HIDE SMILES / InChI

Approval Year

Name Type Language
(1,5-CYCLOOCTADIENE)PYRIDINE(TRICYCLOHEXYLPHOSPHINE)IRIDIUM TETRAFLUOROBORATE
Common Name English
CRABTREE'S CATALYST TETRAFLUOROBORATE
MI  
Preferred Name English
((1,2,5,6-.ETA.)-1,5-CYCLOOCTADIENE)(PYRIDINE)(TRICYCLOHEXYLPHOSPHINE)IRIDIUM TETRAFLUOROBORATE
Common Name English
CRABTREE'S CATALYST TETRAFLUOROBORATE [MI]
Common Name English
IRIDIUM(1+), ((1,2,5,6-.ETA.)-1,5-CYCLOOCTADIENE)(PYRIDINE)(TRICYCLOHEXYLPHOSPHINE)-, TETRAFLUOROBORATE(1-) (1:1)
Common Name English
Code System Code Type Description
CAS
80409-82-1
Created by admin on Mon Mar 31 22:29:41 GMT 2025 , Edited by admin on Mon Mar 31 22:29:41 GMT 2025
PRIMARY
PUBCHEM
90478849
Created by admin on Mon Mar 31 22:29:41 GMT 2025 , Edited by admin on Mon Mar 31 22:29:41 GMT 2025
PRIMARY
FDA UNII
1D10GOY27Q
Created by admin on Mon Mar 31 22:29:41 GMT 2025 , Edited by admin on Mon Mar 31 22:29:41 GMT 2025
PRIMARY
MERCK INDEX
m3824
Created by admin on Mon Mar 31 22:29:41 GMT 2025 , Edited by admin on Mon Mar 31 22:29:41 GMT 2025
PRIMARY Merck Index