bis(2-methyl-5,7-dipyridin-2-yl-3H-inden-3-id-1-yl)-diphenyl-silane; zirconium(2+)

Systemtic Name: bis(2-methyl-5,7-dipyridin-2-yl-3H-inden-3-id-1-yl)-diphenyl-silane; zirconium(2+) Openeye Name: bis[2-methyl-5,7-bis(2-pyridyl)-3H-inden-3-id-1-yl]-diphenyl-silane; zirconium(2+) CAS Name: bis[2-methyl-5,7-bis(2-pyridinyl)-3H-inden-3-id-1-yl]-diphenylsilane; zirconium(2+) IUPAC Name: bis(2-methyl-5,7-dipyridin-2-yl-3H-inden-3-id-1-yl)-diphenylsilane; zirconium(2+) Traditional Name: bis[2-methyl-5,7-bis(2-pyridyl)-3H-inden-3-id-1-yl]-diphenyl-silane; zirconium(2+) Formula: C52H38N4SiZr MolecularWeight: 838.19442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C(C=C2[CH-]1)C3=CC=CC=N3)C4=CC=CC=N4)[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C7=C([CH-]C8=CC(=CC(=C87)C9=CC=CC=N9)C1=CC=CC=N1)C.[Zr+2]

Isomeric SMILES

CC1=C(C2=C(C=C(C=C2[CH-]1)C3=CC=CC=N3)C4=CC=CC=N4)[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C7=C([CH-]C8=CC(=CC(=C87)C9=CC=CC=N9)C1=CC=CC=N1)C.[Zr+2]

InChI

InChI=1S/C52H38N4Si.Zr/c1-35-29-39-31-37(45-21-9-13-25-53-45)33-43(47-23-11-15-27-55-47)49(39)51(35)57(41-17-5-3-6-18-41,42-19-7-4-8-20-42)52-36(2)30-40-32-38(46-22-10-14-26-54-46)34-44(50(40)52)48-24-12-16-28-56-48;/h3-34H,1-2H3;/q-2;+2