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

Systemtic Name: 5-methyl-2-(4-naphthalen-2-yl-1H-inden-1-id-2-yl)pyridine; zirconium(4+); dichloride Openeye Name: 5-methyl-2-[4-(2-naphthyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride CAS Name: 5-methyl-2-[4-(2-naphthalenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(4+); dichloride IUPAC Name: 5-methyl-2-(4-naphthalen-2-yl-1H-inden-1-id-2-yl)pyridine; zirconium(4+); dichloride Traditional Name: 5-methyl-2-[4-(2-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=CC5=CC=CC=C5C=C4.CC1=CN=C(C=C1)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CN=C(C=C1)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.CC1=CN=C(C=C1)C2=CC3=C([CH-]2)C=CC=C3C4=CC5=CC=CC=C5C=C4.[Cl-].[Cl-].[Zr+4]

InChI

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