5-phenyl-10H-indeno[1,2-b]indole; zirconium(4+); dichloride

Systemtic Name: 5-phenyl-10H-indeno[1,2-b]indole; zirconium(4+); dichloride Openeye Name: 5-phenyl-10H-indeno[1,2-b]indole; zirconium(4+); dichloride CAS Name: 5-phenyl-10H-indeno[1,2-b]indole; zirconium(4+); dichloride IUPAC Name: 5-phenyl-10H-indeno[1,2-b]indole; zirconium(4+); dichloride Traditional Name: 5-phenyl-10H-inden[1,2-b]indole; zirconium(4+); dichloride Formula: C42H30Cl2N2Zr+2 MolecularWeight: 724.831

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C3=C1C4=CC=CC=C4N3C5=CC=CC=C5.C1C2=CC=CC=C2C3=C1C4=CC=CC=C4N3C5=CC=CC=C5.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

C1C2=CC=CC=C2C3=C1C4=CC=CC=C4N3C5=CC=CC=C5.C1C2=CC=CC=C2C3=C1C4=CC=CC=C4N3C5=CC=CC=C5.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C21H15N.2ClH.Zr/c2*1-2-9-16(10-3-1)22-20-13-7-6-12-18(20)19-14-15-8-4-5-11-17(15)21(19)22;;;/h2*1-13H,14H2;2*1H;/q;;;;+4/p-2