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

Systemtic Name: 1-methyl-2-phenyl-5-(4-phenyl-1H-inden-1-id-2-yl)pyrrole; zirconium(4+); dichloride Openeye Name: 1-methyl-2-phenyl-5-(4-phenyl-1H-inden-1-id-2-yl)pyrrole; zirconium(4+); dichloride CAS Name: 1-methyl-2-phenyl-5-(4-phenyl-1H-inden-1-id-2-yl)pyrrole; zirconium(4+); dichloride IUPAC Name: 1-methyl-2-phenyl-5-(4-phenyl-1H-inden-1-id-2-yl)pyrrole; zirconium(4+); dichloride Traditional Name: 1-methyl-2-phenyl-5-(4-phenyl-1H-inden-1-id-2-yl)pyrrole; zirconium(4+); dichloride Formula: C52H40Cl2N2Zr MolecularWeight: 855.0174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C26H20N.2ClH.Zr/c2*1-27-25(20-11-6-3-7-12-20)15-16-26(27)22-17-21-13-8-14-23(24(21)18-22)19-9-4-2-5-10-19;;;/h2*2-18H,1H3;2*1H;/q2*-1;;;+4/p-2