2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-1-methyl-5-phenyl-pyrrole; hafnium(4+); dichloride

Systemtic Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-1-methyl-5-phenyl-pyrrole; hafnium(4+); dichloride Openeye Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-1-methyl-5-phenyl-pyrrole; hafnium(4+); dichloride CAS Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-1-methyl-5-phenylpyrrole; hafnium(4+); dichloride IUPAC Name: 2-(3H-cyclopenta[a]naphthalen-3-id-2-yl)-1-methyl-5-phenylpyrrole; hafnium(4+); dichloride Traditional Name: 2-(3H-benz[e]inden-3-id-2-yl)-1-methyl-5-phenyl-pyrrole; hafnium(4+); dichloride Formula: C48H36Cl2HfN2 MolecularWeight: 890.20884

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C2=CC=CC=C2)C3=CC4=C([CH-]3)C=CC5=CC=CC=C54.CN1C(=CC=C1C2=CC=CC=C2)C3=CC4=C([CH-]3)C=CC5=CC=CC=C54.[Cl-].[Cl-].[Hf+4]

Isomeric SMILES

CN1C(=CC=C1C2=CC=CC=C2)C3=CC4=C([CH-]3)C=CC5=CC=CC=C54.CN1C(=CC=C1C2=CC=CC=C2)C3=CC4=C([CH-]3)C=CC5=CC=CC=C54.[Cl-].[Cl-].[Hf+4]

InChI

InChI=1S/2C24H18N.2ClH.Hf/c2*1-25-23(18-8-3-2-4-9-18)13-14-24(25)20-15-19-12-11-17-7-5-6-10-21(17)22(19)16-20;;;/h2*2-16H,1H3;2*1H;/q2*-1;;;+4/p-2