2-(4b,9-dihydrofluoren-9-id-2-yl)-1-methyl-5-phenyl-pyrrole; zirconium(4+); dichloride

Systemtic Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-1-methyl-5-phenyl-pyrrole; zirconium(4+); dichloride Openeye Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-1-methyl-5-phenyl-pyrrole; zirconium(4+); dichloride CAS Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-1-methyl-5-phenylpyrrole; zirconium(4+); dichloride IUPAC Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-1-methyl-5-phenylpyrrole; zirconium(4+); dichloride Traditional Name: 2-(4b,9-dihydrofluoren-9-id-2-yl)-1-methyl-5-phenyl-pyrrole; zirconium(4+); dichloride Formula: C48H36Cl2N2Zr MolecularWeight: 802.94284

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C2=CC3=C(C=C2)C4C=CC=CC4=[C-]3)C5=CC=CC=C5.CN1C(=CC=C1C2=CC3=C(C=C2)C4C=CC=CC4=[C-]3)C5=CC=CC=C5.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CN1C(=CC=C1C2=CC3=C(C=C2)C4C=CC=CC4=[C-]3)C5=CC=CC=C5.CN1C(=CC=C1C2=CC3=C(C=C2)C4C=CC=CC4=[C-]3)C5=CC=CC=C5.[Cl-].[Cl-].[Zr+4]

InChI

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