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

Catalog Number	ACM1335047341-3
CAS	1335047-34-1
Structure
Synonyms	Ir[dF(Me)ppy]2(dtbbpy)PF6
Molecular Weight	1013.96
Molecular Formula	C42H40F10IrN4P
Canonical SMILES	CC1=CN=C(C=C1)C2=C(C=C(C=[C-]2)F)F.CC1=CN=C(C=C1)C2=C(C=C(C=[C-]2)F)F.CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C.F[P-](F)(F)(F)(F)F.[Ir+3]
InChI	InChI=1S/C18H24N2.2C12H8F2N.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*1-8-2-5-12(15-7-8)10-4-3-9(13)6-11(10)14;1-7(2,3,4,5)6;/h7-12H,1-6H3;2*2-3,5-7H,1H3;/q;3*-1;+3
InChI Key	XAJPUJWOMJJPNU-UHFFFAOYSA-N
Purity	98%
Appearance	Yellow solid
Complexity	1280
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Exact Mass	1014.24601
Heavy Atom Count	58
Hydrogen Bond Acceptor Count	17
Hydrogen Bond Donor Count	0
Monoisotopic Mass	1014.24601
Rotatable Bond Count	2
Topological Polar Surface Area	51.6 Ų