1-methyl-2-(4-naphthalen-2-yl-1H-inden-1-id-2-yl)-5-phenyl-pyrrole; zirconium(4+); dichloride

Systemtic Name: 1-methyl-2-(4-naphthalen-2-yl-1H-inden-1-id-2-yl)-5-phenyl-pyrrole; zirconium(4+); dichloride Openeye Name: 1-methyl-2-[4-(2-naphthyl)-1H-inden-1-id-2-yl]-5-phenyl-pyrrole; zirconium(4+); dichloride CAS Name: 1-methyl-2-[4-(2-naphthalenyl)-1H-inden-1-id-2-yl]-5-phenylpyrrole; zirconium(4+); dichloride IUPAC Name: 1-methyl-2-(4-naphthalen-2-yl-1H-inden-1-id-2-yl)-5-phenylpyrrole; zirconium(4+); dichloride Traditional Name: 1-methyl-2-[4-(2-naphthyl)-1H-inden-1-id-2-yl]-5-phenyl-pyrrole; zirconium(4+); dichloride Formula: C60H44Cl2N2Zr MolecularWeight: 955.13476

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C2=CC=CC=C2)C3=CC4=C([CH-]3)C=CC=C4C5=CC6=CC=CC=C6C=C5.CN1C(=CC=C1C2=CC=CC=C2)C3=CC4=C([CH-]3)C=CC=C4C5=CC6=CC=CC=C6C=C5.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CN1C(=CC=C1C2=CC=CC=C2)C3=CC4=C([CH-]3)C=CC=C4C5=CC6=CC=CC=C6C=C5.CN1C(=CC=C1C2=CC=CC=C2)C3=CC4=C([CH-]3)C=CC=C4C5=CC6=CC=CC=C6C=C5.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C30H22N.2ClH.Zr/c2*1-31-29(22-9-3-2-4-10-22)16-17-30(31)26-19-24-12-7-13-27(28(24)20-26)25-15-14-21-8-5-6-11-23(21)18-25;;;/h2*2-20H,1H3;2*1H;/q2*-1;;;+4/p-2