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

Systemtic Name: 1-methyl-2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]-5-phenyl-pyrrole; zirconium(4+); dichloride Openeye Name: 1-methyl-2-phenyl-5-[4-(p-tolyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride CAS Name: 1-methyl-2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]-5-phenylpyrrole; zirconium(4+); dichloride IUPAC Name: 1-methyl-2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]-5-phenylpyrrole; zirconium(4+); dichloride Traditional Name: 1-methyl-2-phenyl-5-[4-(p-tolyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride Formula: C54H44Cl2N2Zr MolecularWeight: 883.07056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C5=CC=CC=C5.CC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C5=CC=CC=C5.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C5=CC=CC=C5.CC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C5=CC=CC=C5.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C27H22N.2ClH.Zr/c2*1-19-11-13-20(14-12-19)24-10-6-9-22-17-23(18-25(22)24)27-16-15-26(28(27)2)21-7-4-3-5-8-21;;;/h2*3-18H,1-2H3;2*1H;/q2*-1;;;+4/p-2