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

Systemtic Name: 2-[4-(4-butan-2-ylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-phenyl-pyrrole; zirconium(4+); dichloride Openeye Name: 1-methyl-2-phenyl-5-[4-(4-sec-butylphenyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride CAS Name: 2-[4-(4-butan-2-ylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-phenylpyrrole; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-butan-2-ylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-phenylpyrrole; zirconium(4+); dichloride Traditional Name: 1-methyl-2-phenyl-5-[4-(4-sec-butylphenyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride Formula: C60H56Cl2N2Zr MolecularWeight: 967.23004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C5=CC=CC=C5.CCC(C)C1=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

CCC(C)C1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C5=CC=CC=C5.CCC(C)C1=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/2C30H28N.2ClH.Zr/c2*1-4-21(2)22-13-15-23(16-14-22)27-12-8-11-25-19-26(20-28(25)27)30-18-17-29(31(30)3)24-9-6-5-7-10-24;;;/h2*5-21H,4H2,1-3H3;2*1H;/q2*-1;;;+4/p-2