3-Di-i-propylphosphino-2-(N,N-dimethylamino)-1H-indene(1,5-cyclooctadiene)iridium(I) hexafluorophosphate

Catalog Number	ACM870077944-1
CAS	870077-94-4
Structure
Synonyms	(1Z,5Z)-Cycloocta-1,5-diene;3-di(propan-2-yl)phosphanyl-N,N-dimethyl-1H-inden-2-amine;iridium;hexafluorophosphate
Molecular Weight	720.7
Molecular Formula	C25H38F6IrNP2
Canonical SMILES	CC(C)P(C1=C(CC2=CC=CC=C21)N(C)C)C(C)C.C1CC=CCCC=C1.F[P-](F)(F)(F)(F)F.[Ir]
InChI	InChI=1S/C17H26NP.C8H12.F6P.Ir/c1-12(2)19(13(3)4)17-15-10-8-7-9-14(15)11-16(17)18(5)6;1-2-4-6-8-7-5-3-1;1-7(2,3,4,5)6;/h7-10,12-13H,11H2,1-6H3;1-2,7-8H,3-6H2;/q;-1;/b;2-1-,8-7-;
InChI Key	MMDIEIPTBOTQOH-ONEVTFJLSA-N
Purity	98%
Appearance	Powder
Exact Mass	721.20129
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isomeric SMILES	CC(P(C(C)C)C1=C(CC2=CC=CC=C12)N(C)C)C.C1/C=C\CC/C=C\C1.F[P-](F)(F)(F)(F)F.[Ir]
Monoisotopic Mass	721.20129
Rotatable Bond Count	4
Topological Polar Surface Area	3.2 Ų