5-phenyl-6H-indeno[2,1-b]indol-6-ide; zirconium(2+); dichloride

Systemtic Name: 5-phenyl-6H-indeno[2,1-b]indol-6-ide; zirconium(2+); dichloride Openeye Name: 5-phenyl-6H-indeno[2,1-b]indol-6-ide; zirconium(2+); dichloride CAS Name: 5-phenyl-6H-indeno[2,1-b]indol-6-ide; zirconium(2+); dichloride IUPAC Name: 5-phenyl-6H-indeno[2,1-b]indol-6-ide; zirconium(2+); dichloride Traditional Name: 5-phenyl-6H-inden[2,1-b]indol-6-ide; zirconium(2+); dichloride Formula: C84H56Cl2N4Zr2-2 MolecularWeight: 1374.72424

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C2=CC=CC=C2C3=C1N(C4=CC=CC=C43)C5=CC=CC=C5.[CH-]1C2=CC=CC=C2C3=C1N(C4=CC=CC=C43)C5=CC=CC=C5.[CH-]1C2=CC=CC=C2C3=C1N(C4=CC=CC=C43)C5=CC=CC=C5.[CH-]1C2=CC=CC=C2C3=C1N(C4=CC=CC=C43)C5=CC=CC=C5.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

[CH-]1C2=CC=CC=C2C3=C1N(C4=CC=CC=C43)C5=CC=CC=C5.[CH-]1C2=CC=CC=C2C3=C1N(C4=CC=CC=C43)C5=CC=CC=C5.[CH-]1C2=CC=CC=C2C3=C1N(C4=CC=CC=C43)C5=CC=CC=C5.[CH-]1C2=CC=CC=C2C3=C1N(C4=CC=CC=C43)C5=CC=CC=C5.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C21H14N.2ClH.2Zr/c4*1-2-9-16(10-3-1)22-19-13-7-6-12-18(19)21-17-11-5-4-8-15(17)14-20(21)22;;;;/h4*1-14H;2*1H;;/q4*-1;;;2*+2/p-2