6-[7-(12-azanylbenzo[i]phenanthridin-6-ium-6-yl)heptyl]benzo[i]phenanthridin-6-ium-12-amine

Systemtic Name: 6-[7-(12-azanylbenzo[i]phenanthridin-6-ium-6-yl)heptyl]benzo[i]phenanthridin-6-ium-12-amine Openeye Name: 6-[7-(12-aminobenzo[i]phenanthridin-6-ium-6-yl)heptyl]benzo[i]phenanthridin-6-ium-12-amine CAS Name: 6-[7-(12-amino-6-benzo[i]phenanthridin-6-iumyl)heptyl]-12-benzo[i]phenanthridin-6-iumamine IUPAC Name: 6-[7-(12-aminobenzo[i]phenanthridin-6-ium-6-yl)heptyl]benzo[i]phenanthridin-6-ium-12-amine Traditional Name: [6-[7-(12-aminobenzo[i]phenanthridin-6-ium-6-yl)heptyl]benzo[i]phenanthridin-6-ium-12-yl]amine Formula: C41H38N4+2 MolecularWeight: 586.76722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C41H36N4/c42-38-24-34-32-18-8-10-20-40(32)44(26-36(34)28-14-4-6-16-30(28)38)22-12-2-1-3-13-23-45-27-37-29-15-5-7-17-31(29)39(43)25-35(37)33-19-9-11-21-41(33)45/h4-11,14-21,24-27,42-43H,1-3,12-13,22-23H2/p+2