methyl-bis(2-methyl-5,7-dipyridin-2-yl-3H-inden-3-id-1-yl)-phenyl-silane; zirconium(4+); dichloride

Systemtic Name: methyl-bis(2-methyl-5,7-dipyridin-2-yl-3H-inden-3-id-1-yl)-phenyl-silane; zirconium(4+); dichloride Openeye Name: methyl-bis[2-methyl-5,7-bis(2-pyridyl)-3H-inden-3-id-1-yl]-phenyl-silane; zirconium(4+); dichloride CAS Name: methyl-bis[2-methyl-5,7-bis(2-pyridinyl)-3H-inden-3-id-1-yl]-phenylsilane; zirconium(4+); dichloride IUPAC Name: methyl-bis(2-methyl-5,7-dipyridin-2-yl-3H-inden-3-id-1-yl)-phenylsilane; zirconium(4+); dichloride Traditional Name: methyl-bis[2-methyl-5,7-bis(2-pyridyl)-3H-inden-3-id-1-yl]-phenyl-silane; zirconium(4+); dichloride Formula: C47H36Cl2N4SiZr MolecularWeight: 847.03104

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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](C)(C5=CC=CC=C5)C6=C([CH-]C7=CC(=CC(=C76)C8=CC=CC=N8)C9=CC=CC=N9)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=C(C2=C(C=C(C=C2[CH-]1)C3=CC=CC=N3)C4=CC=CC=N4)[Si](C)(C5=CC=CC=C5)C6=C([CH-]C7=CC(=CC(=C76)C8=CC=CC=N8)C9=CC=CC=N9)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C47H36N4Si.2ClH.Zr/c1-31-25-35-27-33(40-17-7-11-21-48-40)29-38(42-19-9-13-23-50-42)44(35)46(31)52(3,37-15-5-4-6-16-37)47-32(2)26-36-28-34(41-18-8-12-22-49-41)30-39(45(36)47)43-20-10-14-24-51-43;;;/h4-30H,1-3H3;2*1H;/q-2;;;+4/p-2