2-[4-(4-tert-butylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-phenyl-pyrrole; hafnium(4+); dichloride

Systemtic Name: 2-[4-(4-tert-butylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-phenyl-pyrrole; hafnium(4+); dichloride Openeye Name: 2-[4-(4-tert-butylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-phenyl-pyrrole; hafnium(4+); dichloride CAS Name: 2-[4-(4-tert-butylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-phenylpyrrole; hafnium(4+); dichloride IUPAC Name: 2-[4-(4-tert-butylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-phenylpyrrole; hafnium(4+); dichloride Traditional Name: 2-[4-(4-tert-butylphenyl)-1H-inden-1-id-2-yl]-1-methyl-5-phenyl-pyrrole; hafnium(4+); dichloride Formula: C60H56Cl2HfN2 MolecularWeight: 1054.49604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C5=CC=CC=C5.CC(C)(C)C1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C5=CC=CC=C5.[Cl-].[Cl-].[Hf+4]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C5=CC=CC=C5.CC(C)(C)C1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(N4C)C5=CC=CC=C5.[Cl-].[Cl-].[Hf+4]

InChI

InChI=1S/2C30H28N.2ClH.Hf/c2*1-30(2,3)25-15-13-21(14-16-25)26-12-8-11-23-19-24(20-27(23)26)29-18-17-28(31(29)4)22-9-6-5-7-10-22;;;/h2*5-20H,1-4H3;2*1H;/q2*-1;;;+4/p-2