6-[3-[2-[2-[3-[3,8-bis(azanyl)-5-methyl-phenanthridin-5-ium-6-yl]phenoxy]ethoxy]ethoxy]phenyl]-5-methyl-phenanthridin-5-ium-3,8-diamine dibromide

Systemtic Name: 6-[3-[2-[2-[3-[3,8-bis(azanyl)-5-methyl-phenanthridin-5-ium-6-yl]phenoxy]ethoxy]ethoxy]phenyl]-5-methyl-phenanthridin-5-ium-3,8-diamine dibromide Openeye Name: 6-[3-[2-[2-[3-(3,8-diamino-5-methyl-phenanthridin-5-ium-6-yl)phenoxy]ethoxy]ethoxy]phenyl]-5-methyl-phenanthridin-5-ium-3,8-diamine dibromide CAS Name: 6-[3-[2-[2-[3-(3,8-diamino-5-methyl-6-phenanthridin-5-iumyl)phenoxy]ethoxy]ethoxy]phenyl]-5-methylphenanthridin-5-ium-3,8-diamine dibromide IUPAC Name: 6-[3-[2-[2-[3-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)phenoxy]ethoxy]ethoxy]phenyl]-5-methylphenanthridin-5-ium-3,8-diamine dibromide Traditional Name: [3-amino-6-[3-[2-[2-[3-(3,8-diamino-5-methyl-phenanthridin-5-ium-6-yl)phenoxy]ethoxy]ethoxy]phenyl]-5-methyl-phenanthridin-5-ium-8-yl]amine dibromide Formula: C44H42Br2N6O3 MolecularWeight: 862.65068

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC(=CC=C4)OCCOCCOC5=CC=CC(=C5)C6=C7C=C(C=CC7=C8C=CC(=CC8=[N+]6C)N)N)N)N.[Br-].[Br-]

Isomeric SMILES

C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC(=CC=C4)OCCOCCOC5=CC=CC(=C5)C6=C7C=C(C=CC7=C8C=CC(=CC8=[N+]6C)N)N)N)N.[Br-].[Br-]

InChI

InChI=1S/C44H40N6O3.2BrH/c1-49-41-25-31(47)11-15-37(41)35-13-9-29(45)23-39(35)43(49)27-5-3-7-33(21-27)52-19-17-51-18-20-53-34-8-4-6-28(22-34)44-40-24-30(46)10-14-36(40)38-16-12-32(48)26-42(38)50(44)2;;/h3-16,21-26,47-48H,17-20,45-46H2,1-2H3;2*1H