4,4'-Bis(t-butyl-2,2'-bipyridine]bis[5-methyl-2-(4-methyl-2-pyridinyl-kN)phenyl-kC]iridium hexafluorophosphate

Catalog Number	ACM1607469497-2
CAS	1607469-49-7
Synonyms	Ir(dmppy)2(dtbbpy)PF6
Molecular Weight	970.06
Molecular Formula	C44H48F6IrN4P
Canonical SMILES	CC1=C[C-]=C(C=C1)C2=NC=CC(=C2)C.CC1=C[C-]=C(C=C1)C2=NC=CC(=C2)C.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/C18H24N2.2C13H12N.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*1-10-3-5-12(6-4-10)13-9-11(2)7-8-14-13;1-7(2,3,4,5)6;/h7-12H,1-6H3;2*3-5,7-9H,1-2H3;/q;3*-1;+3
InChI Key	SFJOCOJKUUPWQQ-UHFFFAOYSA-N
Purity	95%
Appearance	Yellow powder
Complexity	1180
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Exact Mass	970.315
Heavy Atom Count	56
Hydrogen Bond Acceptor Count	13
Hydrogen Bond Donor Count	0
Monoisotopic Mass	970.315
Rotatable Bond Count	2
Topological Polar Surface Area	51.6 Ų