Ir(dmppy-ph)2tmd

Catalog Number	ACM2050041615-1
CAS	2050041-61-5
Structure
Synonyms	2-(3,5-Dimethylbenzene-6-id-1-yl)-4-phenylpyridine;iridium(3+);3-methanidyl-5-methanidylidene-2,2,6,6-tetramethylhept-3-ene
Molecular Weight	628.9
Molecular Formula	C32H38IrN
Canonical SMILES	CC1=CC(=[C-]C(=C1)C2=NC=CC(=C2)C3=CC=CC=C3)C.CC(C)(C)C(=CC(=[CH-])C(C)(C)C)[CH2-].[Ir+3]
InChI	InChI=1S/C19H16N.C13H22.Ir/c1-14-10-15(2)12-18(11-14)19-13-17(8-9-20-19)16-6-4-3-5-7-16;1-10(12(3,4)5)9-11(2)13(6,7)8;/h3-11,13H,1-2H3;1,9H,2H2,3-8H3;/q-1;-2;+3
InChI Key	RCYUNRKLKWPMLI-UHFFFAOYSA-N
Exact Mass	629.26335
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Monoisotopic Mass	629.26335
Rotatable Bond Count	3
Topological Polar Surface Area	12.9 Ų