1,2-dimethyl-5-(4-naphthalen-1-yl-1H-inden-1-id-2-yl)pyrrole; zirconium(4+); dichloride

Systemtic Name: 1,2-dimethyl-5-(4-naphthalen-1-yl-1H-inden-1-id-2-yl)pyrrole; zirconium(4+); dichloride Openeye Name: 1,2-dimethyl-5-[4-(1-naphthyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride CAS Name: 1,2-dimethyl-5-[4-(1-naphthalenyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride IUPAC Name: 1,2-dimethyl-5-(4-naphthalen-1-yl-1H-inden-1-id-2-yl)pyrrole; zirconium(4+); dichloride Traditional Name: 1,2-dimethyl-5-[4-(1-naphthyl)-1H-inden-1-id-2-yl]pyrrole; zirconium(4+); dichloride Formula: C50H40Cl2N2Zr MolecularWeight: 830.996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C25H20N.2ClH.Zr/c2*1-17-13-14-25(26(17)2)20-15-19-9-6-12-23(24(19)16-20)22-11-5-8-18-7-3-4-10-21(18)22;;;/h2*3-16H,1-2H3;2*1H;/q2*-1;;;+4/p-2