Chlorodihydrido{(R)-(+)-7-bis(3,5-di-t-butylphenyl)phosphino-7'-[(3-methylpyridine-2-ylmethyl)amino]-2,2',3,3'-tetrahydro-1,1'-spirobiindane}iridium(III)

Catalog Number	ACM1396201630-1
CAS	1396201-63-0
Synonyms	(R)-SpiroPAP-Me-Ir
Molecular Weight	978.75
Molecular Formula	C52H67ClIrN2P
Canonical SMILES	CC1=C(N=CC=C1)CNC2=CC=CC3=C2C4(CC3)CCC5=C4C(=CC=C5)P(C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C.Cl[IrH2]
InChI	InChI=1S/C52H65N2P.ClH.Ir.2H/c1-34-17-16-26-53-44(34)33-54-43-20-14-18-35-22-24-52(46(35)43)25-23-36-19-15-21-45(47(36)52)55(41-29-37(48(2,3)4)27-38(30-41)49(5,6)7)42-31-39(50(8,9)10)28-40(32-42)51(11,12)13;/h14-21,26-32,54H,22-25,33H2,1-13H3;1H;/q;+1;/p-1/t52-;/m1/s1
InChI Key	PBHYFCJJIBYGAE-ZCYYXTSSSA-M
Purity	97%+
Appearance	Yellow green solid
Complexity	1170
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Exact Mass	978.43596
Heavy Atom Count	57
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isomeric SMILES	CC1=C(N=CC=C1)CNC2=CC=CC3=C2[C@@]4(CC3)CCC5=C4C(=CC=C5)P(C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C.Cl[IrH2]
Monoisotopic Mass	978.43596
Rotatable Bond Count	10
Topological Polar Surface Area	24.9 Ų