N-[bis(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)boranyl]propanamide; zirconium(4+); dichloride

Systemtic Name: N-[bis(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)boranyl]propanamide; zirconium(4+); dichloride Openeye Name: N-[bis[2-methyl-3-(1-naphthyl)-1H-inden-1-id-4-yl]boranyl]propanamide; zirconium(4+); dichloride CAS Name: N-[bis[2-methyl-3-(1-naphthalenyl)-1H-inden-1-id-4-yl]boranyl]propanamide; zirconium(4+); dichloride IUPAC Name: N-[bis(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)boranyl]propanamide; zirconium(4+); dichloride Traditional Name: N-[bis[2-methyl-3-(1-naphthyl)-1H-inden-1-id-4-yl]boranyl]propionamide; zirconium(4+); dichloride Formula: C86H68B2Cl2N2O2Zr-2 MolecularWeight: 1345.22432

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=C2C(=CC=C1)[CH-]C(=C2C3=CC=CC4=CC=CC=C43)C)(C5=C6C(=CC=C5)[CH-]C(=C6C7=CC=CC8=CC=CC=C87)C)NC(=O)CC.B(C1=C2C(=CC=C1)[CH-]C(=C2C3=CC=CC4=CC=CC=C43)C)(C5=C6C(=CC=C5)[CH-]C(=C6C7=CC=CC8=CC=CC=C87)C)NC(=O)CC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

B(C1=C2C(=CC=C1)[CH-]C(=C2C3=CC=CC4=CC=CC=C43)C)(C5=C6C(=CC=C5)[CH-]C(=C6C7=CC=CC8=CC=CC=C87)C)NC(=O)CC.B(C1=C2C(=CC=C1)[CH-]C(=C2C3=CC=CC4=CC=CC=C43)C)(C5=C6C(=CC=C5)[CH-]C(=C6C7=CC=CC8=CC=CC=C87)C)NC(=O)CC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C43H34BNO.2ClH.Zr/c2*1-4-39(46)45-44(37-23-11-17-31-25-27(2)40(42(31)37)35-21-9-15-29-13-5-7-19-33(29)35)38-24-12-18-32-26-28(3)41(43(32)38)36-22-10-16-30-14-6-8-20-34(30)36;;;/h2*5-26H,4H2,1-3H3,(H,45,46);2*1H;/q2*-2;;;+4/p-2