[4,4'-Bis(1,1-dimethylethyl)-2,2'-bipyridine-κN,κN]bis[3,5-difluoro-2-(2-pyridinyl-κN)phenyl-κC]iridium hexafluorophosphate

Catalog Number	ACM1072067447-3
CAS	1072067-44-7
Synonyms	[4,4'-Bis(1,1-dimethylethyl)-2,2'-bipyridine-κ
Molecular Weight	985.92
Molecular Formula	C40H36F10IrN4P
Canonical SMILES	CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C.C1=CC=NC(=C1)C2=C(C=C(C=[C-]2)F)F.C1=CC=NC(=C1)C2=C(C=C(C=[C-]2)F)F.F[P-](F)(F)(F)(F)F.[Ir+3]
InChI	InChI=1S/C18H24N2.2C11H6F2N.F6P.Ir/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-7(2,3,4,5)6;/h7-12H,1-6H3;2*1-4,6-7H;/q;3*-1;+3
InChI Key	YTFMVASKFDAIDY-UHFFFAOYSA-N
Purity	97%
Appearance	Yellow powder
Complexity	656
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Exact Mass	986.21471
Heavy Atom Count	56
Hydrogen Bond Acceptor Count	17
Hydrogen Bond Donor Count	0
Monoisotopic Mass	986.21471
Rotatable Bond Count	5
Topological Polar Surface Area	51.6 Ų