3-[3,8-bis(azanyl)-5-methyl-phenanthridin-5-ium-6-yl]-N-[5-[[3-[3,8-bis(azanyl)-5-methyl-phenanthridin-5-ium-6-yl]phenyl]carbonylamino]pentyl]benzamide

Systemtic Name: 3-[3,8-bis(azanyl)-5-methyl-phenanthridin-5-ium-6-yl]-N-[5-[[3-[3,8-bis(azanyl)-5-methyl-phenanthridin-5-ium-6-yl]phenyl]carbonylamino]pentyl]benzamide Openeye Name: 3-(3,8-diamino-5-methyl-phenanthridin-5-ium-6-yl)-N-[5-[[3-(3,8-diamino-5-methyl-phenanthridin-5-ium-6-yl)benzoyl]amino]pentyl]benzamide CAS Name: 3-(3,8-diamino-5-methyl-6-phenanthridin-5-iumyl)-N-[5-[[[3-(3,8-diamino-5-methyl-6-phenanthridin-5-iumyl)phenyl]-oxomethyl]amino]pentyl]benzamide IUPAC Name: 3-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)-N-[5-[[3-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)benzoyl]amino]pentyl]benzamide Traditional Name: 3-(3,8-diamino-5-methyl-phenanthridin-5-ium-6-yl)-N-[5-[[3-(3,8-diamino-5-methyl-phenanthridin-5-ium-6-yl)benzoyl]amino]pentyl]benzamide Formula: C47H46N8O2+2 MolecularWeight: 754.92054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC(=CC=C4)C(=O)NCCCCCNC(=O)C5=CC=CC(=C5)C6=C7C=C(C=CC7=C8C=CC(=CC8=[N+]6C)N)N)N)N

Isomeric SMILES

C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC(=CC=C4)C(=O)NCCCCCNC(=O)C5=CC=CC(=C5)C6=C7C=C(C=CC7=C8C=CC(=CC8=[N+]6C)N)N)N)N

InChI

InChI=1S/C47H44N8O2/c1-54-42-26-34(50)14-18-38(42)36-16-12-32(48)24-40(36)44(54)28-8-6-10-30(22-28)46(56)52-20-4-3-5-21-53-47(57)31-11-7-9-29(23-31)45-41-25-33(49)13-17-37(41)39-19-15-35(51)27-43(39)55(45)2/h6-19,22-27,50-51H,3-5,20-21,48-49H2,1-2H3,(H2,52,53,56,57)/p+2