Synonyms
MFCD22666052;(Dimethylphenylphosphine)(1,5-cyclooctadiene)[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]iridium(I) PF6;1019853-03-2;
IUPAC Name
1,3-bis(2,4,6-trimethylphenyl)imidazole;(1Z,5Z)-cycloocta-1,5-diene;dimethyl(phenyl)phosphane;iridium;hexafluorophosphate;
Molecular Weight
887.952g/mol
Molecular Formula
C37H47F6IrN2P2-;
Canonical SMILES
CC1=CC(=C(C(=C1)C)N2C=CN([C]2)C3=C(C=C(C=C3C)C)C)C.CP(C)C1=CC=CC=C1.C1CC=CCCC=C1.F[P-](F)(F)(F)(F)F.[Ir];
InChI
InChI=1S/C21H24N2.C8H11P.C8H12.F6P.Ir/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-9(2)8-6-4-3-5-7-8;1-2-4-6-8-7-5-3-1;1-7(2,3,4,5)6;/h7-12H,1-6H3;3-7H,1-2H3;1-2,7-8H,3-6H2;;/q;;;-1;/b;;2-1-,8-7-;;;
InChI Key
RZGUFPBRIYAYCR-JXNOXZOESA-N;
Complexity
578
Covalently-Bonded Unit Count
5
Defined Bond Stereocenter Count
2
Exact Mass
888.275g/mol
Formal Charge
-1
H-Bond Acceptor
9
Heavy Atom Count
48
Monoisotopic Mass
888.275g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
6.5A^2
