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

Systemtic Name: 5-methyl-2-(4-naphthalen-1-yl-1H-inden-1-id-2-yl)pyridine; zirconium(4+); dichloride Openeye Name: 5-methyl-2-[4-(1-naphthyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride CAS Name: 5-methyl-2-[4-(1-naphthalenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride IUPAC Name: 5-methyl-2-(4-naphthalen-1-yl-1H-inden-1-id-2-yl)pyridine; zirconium(4+); dichloride Traditional Name: 5-methyl-2-[4-(1-naphthyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride Formula: C50H36Cl2N2Zr MolecularWeight: 826.96424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.CC1=CN=C(C=C1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CN=C(C=C1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.CC1=CN=C(C=C1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C25H18N.2ClH.Zr/c2*1-17-12-13-25(26-16-17)20-14-19-8-5-11-23(24(19)15-20)22-10-4-7-18-6-2-3-9-21(18)22;;;/h2*2-16H,1H3;2*1H;/q2*-1;;;+4/p-2