[1-[2-Bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;dichlororuthenium;(1S,2S)-1,2-diphenylethane-1,2-diamine

Catalog Number	ACM220114034-1
CAS	220114-03-4
Structure
Synonyms	Rucl2[(S)-xylbinap][(S,S)-dpen]
Molecular Weight	1119.1
Molecular Formula	C66H64Cl2N2P2Ru
Canonical SMILES	CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.C1=CC=C(C=C1)C(C(C2=CC=CC=C2)N)N.Cl[Ru]Cl
InChI	InChI=1S/C52H48P2.C14H16N2.2ClH.Ru/c1-33-21-34(2)26-43(25-33)53(44-27-35(3)22-36(4)28-44)49-19-17-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)18-20-50(52)54(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;/h9-32H,1-8H3;1-10,13-14H,15-16H2;2*1H;/q;+2/p-2/t;13-,14-;/m0/s1
InChI Key	HYMSONXJNGZZBM-LISIALKWSA-L
Purity	95%
Appearance	Powder
Exact Mass	1118.29652
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isomeric SMILES	CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.C1=CC=C(C=C1)[C@@H]([C@H](C2=CC=CC=C2)N)N.Cl[Ru]Cl
Monoisotopic Mass	1118.29652
Rotatable Bond Count	10
Topological Polar Surface Area	52 Ų