6-[9-(12-azanylbenzo[i]phenanthridin-6-ium-6-yl)nonyl]benzo[i]phenanthridin-6-ium-12-amine dibromide

Systemtic Name: 6-[9-(12-azanylbenzo[i]phenanthridin-6-ium-6-yl)nonyl]benzo[i]phenanthridin-6-ium-12-amine dibromide Openeye Name: 6-[9-(12-aminobenzo[i]phenanthridin-6-ium-6-yl)nonyl]benzo[i]phenanthridin-6-ium-12-amine dibromide CAS Name: 6-[9-(12-amino-6-benzo[i]phenanthridin-6-iumyl)nonyl]-12-benzo[i]phenanthridin-6-iumamine dibromide IUPAC Name: 6-[9-(12-aminobenzo[i]phenanthridin-6-ium-6-yl)nonyl]benzo[i]phenanthridin-6-ium-12-amine dibromide Traditional Name: [6-[9-(12-aminobenzo[i]phenanthridin-6-ium-6-yl)nonyl]benzo[i]phenanthridin-6-ium-12-yl]amine dibromide Formula: C43H42Br2N4 MolecularWeight: 774.62838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C43H40N4.2BrH/c44-40-26-36-34-20-10-12-22-42(34)46(28-38(36)30-16-6-8-18-32(30)40)24-14-4-2-1-3-5-15-25-47-29-39-31-17-7-9-19-33(31)41(45)27-37(39)35-21-11-13-23-43(35)47;;/h6-13,16-23,26-29,44-45H,1-5,14-15,24-25H2;2*1H