N2,N5-bis(1H-benzimidazol-2-yl)-3a,6a-dipyridin-2-yl-1H-imidazo[4,5-d]imidazol-4-ide-2,5-diamine; zinc

Systemtic Name: N2,N5-bis(1H-benzimidazol-2-yl)-3a,6a-dipyridin-2-yl-1H-imidazo[4,5-d]imidazol-4-ide-2,5-diamine; zinc Openeye Name: N2,N5-bis(1H-benzimidazol-2-yl)-3a,6a-bis(2-pyridyl)-1H-imidazo[4,5-d]imidazol-4-ide-2,5-diamine; zinc CAS Name: N2,N5-bis(1H-benzimidazol-2-yl)-3a,6a-bis(2-pyridinyl)-1H-imidazo[4,5-d]imidazol-4-ide-2,5-diamine; zinc IUPAC Name: 2-N,5-N-bis(1H-benzimidazol-2-yl)-3a,6a-dipyridin-2-yl-1H-imidazo[4,5-d]imidazol-4-ide-2,5-diamine; zinc Traditional Name: 1H-benzimidazol-2-yl-[2-(1H-benzimidazol-2-ylamino)-3a,6a-bis(2-pyridyl)-1H-imidaz[4,5-d]imidazol-4-id-5-yl]amine; zinc Formula: C56H42N24Zn2-2 MolecularWeight: 1181.91148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)NC3=NC4(C(N3)(N=C([N-]4)NC5=NC6=CC=CC=C6N5)C7=CC=CC=N7)C8=CC=CC=N8.C1=CC=C2C(=C1)NC(=N2)NC3=NC4(C(N3)(N=C([N-]4)NC5=NC6=CC=CC=C6N5)C7=CC=CC=N7)C8=CC=CC=N8.[Zn].[Zn]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)NC3=NC4(C(N3)(N=C([N-]4)NC5=NC6=CC=CC=C6N5)C7=CC=CC=N7)C8=CC=CC=N8.C1=CC=C2C(=C1)NC(=N2)NC3=NC4(C(N3)(N=C([N-]4)NC5=NC6=CC=CC=C6N5)C7=CC=CC=N7)C8=CC=CC=N8.[Zn].[Zn]

InChI

InChI=1S/2C28H21N12.2Zn/c2*1-2-10-18-17(9-1)31-23(32-18)35-25-37-27(21-13-5-7-15-29-21)28(38-25,22-14-6-8-16-30-22)40-26(39-27)36-24-33-19-11-3-4-12-20(19)34-24;;/h2*1-16H,(H5-,31,32,33,34,35,36,37,38,39,40);;/q2*-1;;