bis(1-methanidyl-2-methyl-3-phenanthren-4-yl-1H-inden-4-yl)-methyl-phenyl-silane; zirconium(2+)

Systemtic Name: bis(1-methanidyl-2-methyl-3-phenanthren-4-yl-1H-inden-4-yl)-methyl-phenyl-silane; zirconium(2+) Openeye Name: bis[1-methanidyl-2-methyl-3-(4-phenanthryl)-1H-inden-4-yl]-methyl-phenyl-silane; zirconium(2+) CAS Name: bis[1-methanidyl-2-methyl-3-(4-phenanthrenyl)-1H-inden-4-yl]-methyl-phenylsilane; zirconium(2+) IUPAC Name: bis(1-methanidyl-2-methyl-3-phenanthren-4-yl-1H-inden-4-yl)-methyl-phenylsilane; zirconium(2+) Traditional Name: bis[1-methanidyl-2-methyl-3-(4-phenanthryl)-1H-inden-4-yl]-methyl-phenyl-silane; zirconium(2+) Formula: C57H44SiZr MolecularWeight: 848.26876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1[CH2-])C=CC=C2[Si](C)(C3=CC=CC=C3)C4=CC=CC5=C4C(=C(C5[CH2-])C)C6=CC=CC7=C6C8=CC=CC=C8C=C7)C9=CC=CC1=C9C2=CC=CC=C2C=C1.[Zr+2]

Isomeric SMILES

CC1=C(C2=C(C1[CH2-])C=CC=C2[Si](C)(C3=CC=CC=C3)C4=CC=CC5=C4C(=C(C5[CH2-])C)C6=CC=CC7=C6C8=CC=CC=C8C=C7)C9=CC=CC1=C9C2=CC=CC=C2C=C1.[Zr+2]

InChI

InChI=1S/C57H44Si.Zr/c1-35-37(3)52(48-27-13-19-41-33-31-39-17-9-11-23-46(39)54(41)48)56-44(35)25-15-29-50(56)58(5,43-21-7-6-8-22-43)51-30-16-26-45-36(2)38(4)53(57(45)51)49-28-14-20-42-34-32-40-18-10-12-24-47(40)55(42)49;/h6-36H,1-2H2,3-5H3;/q-2;+2