CAS 1212008-99-5 [1,3-Bis(2,6-di-i-propylphenyl)-4,5-dihydroimidazol-2-ylidene]-[2-i-propoxy-5-(trifluoroacetamido)phenyl]methyleneruthenium(II) dichloride M71-S1Pr

Synonyms

1212008-99-5;MFCD12545950;(1,3-bis(2,6-diisopropylphenyl)imidazolidin-2-yliden;e)(2-isopropoxy-5-(2,2,2-trifluoroacetamido)benzylidene)ruthenium(VI) chloride;[1,3-Bis(2,6-di-i-propylphenyl)-4,5-dihydroimidazol-2-ylidene]-[2-i-propoxy-5-(trifluoroacetamido)phenyl]methyleneruthenium(II) dichloride;[1,3-Bis(2,6-di-i-propylphenyl)-4,5-dihydroimidazol-2-ylidene]-[2-i-propoxy-5-(trifluoroacetamido)phenyl]methyleneruthenium(II) dichloride M71-S1Pr;

IUPAC Name

[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ylidene]-dichloro-[[2-propan-2-yloxy-5-[(2,2,2-trifluoroacetyl)amino]phenyl]methylidene]ruthenium;

Molecular Weight

821.813g/mol

Molecular Formula

C39H50Cl2F3N3O2Ru;

Canonical SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)N2CCN(C2=[Ru](=CC3=C(C=CC(=C3)NC(=O)C(F)(F)F)OC(C)C)(Cl)Cl)C4=C(C=CC=C4C(C)C)C(C)C;

InChI

InChI=1S/C27H38N2.C12H12F3NO2.2ClH.Ru/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-7(2)18-10-5-4-9(6-8(10)3)16-11(17)12(13,14)15;;;/h9-14,18-21H,15-16H2,1-8H3;3-7H,1-2H3,(H,16,17);2*1H;/q;;;;+2/p-2;

InChI Key

UKUOIAIRKSRWAN-UHFFFAOYSA-L;

Complexity

1180

Covalently-Bonded Unit Count

Exact Mass

821.228g/mol

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

821.228g/mol

Rotatable Bond Count

Topological Polar Surface Area

44.8A^2