Tri(i-propoxy)phosphine(3-phenyl-1H-inden-1-ylidene)[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidene]ruthenium (II) dichloride

Catalog Number	ACM1255536618-2
CAS	1255536-61-8
Structure
Synonyms	Cis-[1,3-bis(2,4,6-Trimethylphenyl)-2-imidazolidinylidene] dichloro -(3-phenyl-1H-indene-1-ylidene)(tris-isopropylphospite) ruthenium
Molecular Weight	876.89
Molecular Formula	C45H57Cl2N2O3PRu
Canonical SMILES	CC1=CC(=C(C(=C1)C)N2CC[N+](=[C-]2)C3=C(C=C(C=C3C)C)C)C.CC(C)OP(OC(C)C)OC(C)C.C1=CC=C(C=C1)C2=CC(=[Ru](Cl)Cl)C3=CC=CC=C32
InChI	InChI=1S/C21H26N2.C15H10.C9H21O3P.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-7(2)10-13(11-8(3)4)12-9(5)6;/h9-12H,7-8H2,1-6H3;1-9,11H;7-9H,1-6H3;2*1H;/q;+2/p-2
InChI Key	SQVIIKMINHOOBH-UHFFFAOYSA-L
Purity	95%
Appearance	Brown powder
Complexity	857
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Exact Mass	876.252726
Heavy Atom Count	54
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Monoisotopic Mass	876.252726
Rotatable Bond Count	9
Topological Polar Surface Area	33.9 Ų