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

Systemtic Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-phenyl-pyrrole; zirconium(4+); dichloride Openeye Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-phenyl-pyrrole; zirconium(4+); dichloride CAS Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-phenylpyrrole; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-phenylpyrrole; zirconium(4+); dichloride Traditional Name: 2-[4-(4-hexylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-phenyl-pyrrole; zirconium(4+); dichloride Formula: C64H64Cl2N2Zr MolecularWeight: 1023.33636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C5=CC=CC=C5.CCCCCCC1=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

CCCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C5=CC=CC=C5.CCCCCCC1=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/2C32H32N.2ClH.Zr/c2*1-3-4-5-7-11-24-16-18-25(19-17-24)29-15-10-14-27-22-28(23-30(27)29)32-21-20-31(33(32)2)26-12-8-6-9-13-26;;;/h2*6,8-10,12-23H,3-5,7,11H2,1-2H3;2*1H;/q2*-1;;;+4/p-2