Bis(3,5-dimethylphenyl)-[3-[4-[(2,4-dimethylphenyl)-(3,5-dimethylphenyl)phosphanyl]-2,6-dimethoxypyridin-3-yl]-2,6-dimethoxypyridin-4-yl]phosphane;dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine

Catalog Number	ACM478308939-1
CAS	478308-93-9
Structure
Synonyms	Dichloro[(R)-(+)-2,2',6,6'-tetramethoxy-4,4'-bis(di(3,5-xylyl)phosphino)-3,3'-bipyridine][(1R,2R)-(+)-1,2-diphenylethylenediamine]ruthenium(II)
Molecular Weight	1141.1
Molecular Formula	C60H66Cl2N4O4P2Ru
Canonical SMILES	CC1=CC(=C(C=C1)P(C2=CC(=CC(=C2)C)C)C3=CC(=NC(=C3C4=C(N=C(C=C4P(C5=CC(=CC(=C5)C)C)C6=CC(=CC(=C6)C)C)OC)OC)OC)OC)C.C1=CC=C(C=C1)C(C(C2=CC=CC=C2)N)N.Cl[Ru]Cl
InChI	InChI=1S/C46H50N2O4P2.C14H16N2.2ClH.Ru/c1-27-13-14-38(34(8)18-27)54(37-23-32(6)17-33(7)24-37)40-26-42(50-10)48-46(52-12)44(40)43-39(25-41(49-9)47-45(43)51-11)53(35-19-28(2)15-29(3)20-35)36-21-30(4)16-31(5)22-36;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;/h13-26H,1-12H3;1-10,13-14H,15-16H2;2*1H;/q;+2/p-2/t;13-,14-;/m1/s1
InChI Key	JUYGEXXTNKRRNM-ODQAEMFESA-L
Purity	95%
Appearance	Solid
Exact Mass	1140.297976
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isomeric SMILES	CC1=CC(=C(C=C1)P(C2=CC(=CC(=C2)C)C)C3=CC(=NC(=C3C4=C(N=C(C=C4P(C5=CC(=CC(=C5)C)C)C6=CC(=CC(=C6)C)C)OC)OC)OC)OC)C.C1=CC=C(C=C1)[C@H]([C@@H](C2=CC=CC=C2)N)N.Cl[Ru]Cl
Monoisotopic Mass	1140.297976
Rotatable Bond Count	14
Topological Polar Surface Area	115 Ų