4,4'-Bis(trifluoromethyl)-2,2'-bipyridinebis[3,5-difluoro-2-[5-trifluoromethyl-2-pyridinyl)phenyl] iridium(III) hexafluorophosphate

Catalog Number	ACM2030437900-3
CAS	2030437-90-0
Synonyms	(Ir[dF(F)ppy]2(dCF3))PF6
Molecular Weight	1145.69
Molecular Formula	C36H16F22IrN4P
Canonical SMILES	C1=CC(=NC=C1C(F)(F)F)C2=C(C=C(C=[C-]2)F)F.C1=CC(=NC=C1C(F)(F)F)C2=C(C=C(C=[C-]2)F)F.C1=CN=C(C=C1C(F)(F)F)C2=NC=CC(=C2)C(F)(F)F.F[P-](F)(F)(F)(F)F.[Ir]
InChI	InChI=1S/C12H6F6N2.2C12H5F5N.F6P.Ir/c13-11(14,15)7-1-3-19-9(5-7)10-6-8(2-4-20-10)12(16,17)18;2*13-8-2-3-9(10(14)5-8)11-4-1-7(6-18-11)12(15,16)17;1-7(2,3,4,5)6;/h1-6H;2*1-2,4-6H;/q;3*-1;
InChI Key	ABYRRBVUWQVBSI-UHFFFAOYSA-N
Purity	98%
Appearance	Yellow solid
Complexity	1480
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Exact Mass	1146.03905
Heavy Atom Count	64
Hydrogen Bond Acceptor Count	29
Hydrogen Bond Donor Count	0
Monoisotopic Mass	1146.03905
Rotatable Bond Count	0
Topological Polar Surface Area	51.6 Ų