zinc 5-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[3-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diid-5-yl]phenoxy]propyl]pentanamide

Systemtic Name: zinc 5-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[3-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diid-5-yl]phenoxy]propyl]pentanamide Openeye Name: zinc 5-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[3-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diid-5-yl]phenoxy]propyl]pentanamide CAS Name: zinc 5-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[3-[4-[10,15,20-tris(1-methyl-4-pyridin-1-iumyl)-5-porphyrin-22,24-diidyl]phenoxy]propyl]pentanamide IUPAC Name: zinc 5-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[3-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diid-5-yl]phenoxy]propyl]pentanamide Traditional Name: zinc 5-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[3-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)porphine-22,24-diid-5-yl]phenoxy]propyl]valeramide Formula: C70H64N10O3Zn+4 MolecularWeight: 1158.73136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C3=C1C=C[N+](=C3)CCCCC(=O)NCCCOC4=CC=C(C=C4)C5=C6C=CC(=C(C7=NC(=C(C8=CC=C([N-]8)C(=C9C=CC5=N9)C1=CC=[N+](C=C1)C)C1=CC=[N+](C=C1)C)C=C7)C1=CC=[N+](C=C1)C)[N-]6)C)C1=C(N2)C=CC(=C1)OC.[Zn+2]

Isomeric SMILES

CC1=C2C(=C(C3=C1C=C[N+](=C3)CCCCC(=O)NCCCOC4=CC=C(C=C4)C5=C6C=CC(=C(C7=NC(=C(C8=CC=C([N-]8)C(=C9C=CC5=N9)C1=CC=[N+](C=C1)C)C1=CC=[N+](C=C1)C)C=C7)C1=CC=[N+](C=C1)C)[N-]6)C)C1=C(N2)C=CC(=C1)OC.[Zn+2]

InChI

InChI=1S/C70H62N10O3.Zn/c1-44-54-43-80(40-31-52(54)45(2)70-65(44)53-42-51(82-6)15-16-55(53)76-70)33-8-7-10-64(81)71-32-9-41-83-50-13-11-46(12-14-50)66-56-17-19-58(72-56)67(47-25-34-77(3)35-26-47)60-21-23-62(74-60)69(49-29-38-79(5)39-30-49)63-24-22-61(75-63)68(59-20-18-57(66)73-59)48-27-36-78(4)37-28-48;/h11-31,34-40,42-43H,7-10,32-33,41H2,1-6H3;/q;+2/p+2