6-[8-(12-azanylbenzo[i]phenanthridin-6-ium-6-yl)octyl]benzo[i]phenanthridin-6-ium-12-amine dibromide

Systemtic Name: 6-[8-(12-azanylbenzo[i]phenanthridin-6-ium-6-yl)octyl]benzo[i]phenanthridin-6-ium-12-amine dibromide Openeye Name: 6-[8-(12-aminobenzo[i]phenanthridin-6-ium-6-yl)octyl]benzo[i]phenanthridin-6-ium-12-amine dibromide CAS Name: 6-[8-(12-amino-6-benzo[i]phenanthridin-6-iumyl)octyl]-12-benzo[i]phenanthridin-6-iumamine dibromide IUPAC Name: 6-[8-(12-aminobenzo[i]phenanthridin-6-ium-6-yl)octyl]benzo[i]phenanthridin-6-ium-12-amine dibromide Traditional Name: [6-[8-(12-aminobenzo[i]phenanthridin-6-ium-6-yl)octyl]benzo[i]phenanthridin-6-ium-12-yl]amine dibromide Formula: C42H40Br2N4 MolecularWeight: 760.6018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=C2C=[N+](C4=CC=CC=C43)CCCCCCCC[N+]5=CC6=C(C=C(C7=CC=CC=C76)N)C8=CC=CC=C85)N.[Br-].[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC3=C2C=[N+](C4=CC=CC=C43)CCCCCCCC[N+]5=CC6=C(C=C(C7=CC=CC=C76)N)C8=CC=CC=C85)N.[Br-].[Br-]

InChI

InChI=1S/C42H38N4.2BrH/c43-39-25-35-33-19-9-11-21-41(33)45(27-37(35)29-15-5-7-17-31(29)39)23-13-3-1-2-4-14-24-46-28-38-30-16-6-8-18-32(30)40(44)26-36(38)34-20-10-12-22-42(34)46;;/h5-12,15-22,25-28,43-44H,1-4,13-14,23-24H2;2*1H