N2,N5-bis(1H-benzimidazol-2-yl)-3a,6a-diphenyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-diamine; zinc; dinitrate

Systemtic Name: N2,N5-bis(1H-benzimidazol-2-yl)-3a,6a-diphenyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-diamine; zinc; dinitrate Openeye Name: N2,N5-bis(1H-benzimidazol-2-yl)-3a,6a-diphenyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-diamine; zinc; dinitrate CAS Name: N2,N5-bis(1H-benzimidazol-2-yl)-3a,6a-diphenyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-diamine; zinc; dinitrate IUPAC Name: 2-N,5-N-bis(1H-benzimidazol-2-yl)-3a,6a-diphenyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-diamine; zinc; dinitrate Traditional Name: 1H-benzimidazol-2-yl-[5-(1H-benzimidazol-2-ylamino)-3a,6a-diphenyl-1,6-dihydroimidaz[4,5-d]imidazol-2-yl]amine; zinc; dinitrate Formula: C60H48N22O6Zn2-2 MolecularWeight: 1303.98492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C23C(N=C(N2)NC4=NC5=CC=CC=C5N4)(N=C(N3)NC6=NC7=CC=CC=C7N6)C8=CC=CC=C8.C1=CC=C(C=C1)C23C(N=C(N2)NC4=NC5=CC=CC=C5N4)(N=C(N3)NC6=NC7=CC=CC=C7N6)C8=CC=CC=C8.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Zn].[Zn]

Isomeric SMILES

C1=CC=C(C=C1)C23C(N=C(N2)NC4=NC5=CC=CC=C5N4)(N=C(N3)NC6=NC7=CC=CC=C7N6)C8=CC=CC=C8.C1=CC=C(C=C1)C23C(N=C(N2)NC4=NC5=CC=CC=C5N4)(N=C(N3)NC6=NC7=CC=CC=C7N6)C8=CC=CC=C8.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Zn].[Zn]

InChI

InChI=1S/2C30H24N10.2NO3.2Zn/c2*1-3-11-19(12-4-1)29-30(20-13-5-2-6-14-20,39-27(37-29)35-25-31-21-15-7-8-16-22(21)32-25)40-28(38-29)36-26-33-23-17-9-10-18-24(23)34-26;2*2-1(3)4;;/h2*1-18H,(H3,31,32,35,37,39)(H3,33,34,36,38,40);;;;/q;;2*-1;;