2,7-ditert-butyl-9H-fluoren-9-ide; diphenylsilylidenezirconium(2+); 9-(3-methyl-1H-inden-1-id-4-yl)phenanthrene; dichloride

Systemtic Name: 2,7-ditert-butyl-9H-fluoren-9-ide; diphenylsilylidenezirconium(2+); 9-(3-methyl-1H-inden-1-id-4-yl)phenanthrene; dichloride Openeye Name: 2,7-ditert-butyl-9H-fluoren-9-ide; diphenylsilylidenezirconium(2+); 9-(3-methyl-1H-inden-1-id-4-yl)phenanthrene; dichloride CAS Name: 2,7-ditert-butyl-9H-fluoren-9-ide; diphenylsilylidenezirconium(2+); 9-(3-methyl-1H-inden-1-id-4-yl)phenanthrene; dichloride IUPAC Name: 2,7-ditert-butyl-9H-fluoren-9-ide; diphenylsilylidenezirconium(2+); 9-(3-methyl-1H-inden-1-id-4-yl)phenanthrene; dichloride Traditional Name: 2,7-ditert-butyl-9H-fluoren-9-ide; diphenylsilylidenezirconium(2+); 9-(3-methyl-1H-inden-1-id-4-yl)phenanthrene; dichloride Formula: C57H52Cl2SiZr-2 MolecularWeight: 927.23828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[CH-]C2=C1C(=CC=C2)C3=CC4=CC=CC=C4C5=CC=CC=C53.CC(C)(C)C1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)C(C)(C)C.C1=CC=C(C=C1)[Si](=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CC1=C[CH-]C2=C1C(=CC=C2)C3=CC4=CC=CC=C4C5=CC=CC=C53.CC(C)(C)C1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)C(C)(C)C.C1=CC=C(C=C1)[Si](=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C24H17.C21H25.C12H10Si.2ClH.Zr/c1-16-13-14-17-8-6-12-22(24(16)17)23-15-18-7-2-3-9-19(18)20-10-4-5-11-21(20)23;1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;/h2-15H,1H3;7-13H,1-6H3;1-10H;2*1H;/q2*-1;;;;+2/p-2