4-phenyl-2,6-di(propan-2-yl)cyclopenta[b]pyrrole; zirconium(2+); dichloride

Systemtic Name: 4-phenyl-2,6-di(propan-2-yl)cyclopenta[b]pyrrole; zirconium(2+); dichloride Openeye Name: 2,6-diisopropyl-4-phenyl-cyclopenta[b]pyrrole; zirconium(2+); dichloride CAS Name: 4-phenyl-2,6-di(propan-2-yl)cyclopenta[b]pyrrole; zirconium(2+); dichloride IUPAC Name: 4-phenyl-2,6-di(propan-2-yl)cyclopenta[b]pyrrole; zirconium(2+); dichloride Traditional Name: 2,6-diisopropyl-4-phenyl-cyclopenta[b]pyrrole; zirconium(2+); dichloride Formula: C38H42Cl2N2Zr MolecularWeight: 688.88348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C1=NC(=C2)C(C)C)C3=CC=CC=C3.CC(C)C1=CC(=C2C1=NC(=C2)C(C)C)C3=CC=CC=C3.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CC(C)C1=CC(=C2C1=NC(=C2)C(C)C)C3=CC=CC=C3.CC(C)C1=CC(=C2C1=NC(=C2)C(C)C)C3=CC=CC=C3.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C19H21N.2ClH.Zr/c2*1-12(2)15-10-16(14-8-6-5-7-9-14)17-11-18(13(3)4)20-19(15)17;;;/h2*5-13H,1-4H3;2*1H;/q;;;;+2/p-2