5-methyl-2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(2+)

Systemtic Name: 5-methyl-2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(2+) Openeye Name: 5-methyl-2-[4-(p-tolyl)-1H-inden-1-id-2-yl]pyridine; zirconium(2+) CAS Name: 5-methyl-2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(2+) IUPAC Name: 5-methyl-2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]pyridine; zirconium(2+) Traditional Name: 5-methyl-2-[4-(p-tolyl)-1H-inden-1-id-2-yl]pyridine; zirconium(2+) Formula: C44H36N2Zr MolecularWeight: 683.99404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=NC=C(C=C4)C.CC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=NC=C(C=C4)C.[Zr+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=NC=C(C=C4)C.CC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=NC=C(C=C4)C.[Zr+2]

InChI

InChI=1S/2C22H18N.Zr/c2*1-15-6-9-17(10-7-15)20-5-3-4-18-12-19(13-21(18)20)22-11-8-16(2)14-23-22;/h2*3-14H,1-2H3;/q2*-1;+2