5,15-bis(1-methylpyridin-1-ium-3-yl)-10,20-bis(1-methylquinolin-1-ium-3-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,15-bis(1-methylpyridin-1-ium-3-yl)-10,20-bis(1-methylquinolin-1-ium-3-yl)-21,22-dihydroporphyrin Openeye Name: 5,15-bis(1-methylpyridin-1-ium-3-yl)-10,20-bis(1-methylquinolin-1-ium-3-yl)-21,22-dihydroporphyrin CAS Name: 5,15-bis(1-methyl-3-pyridin-1-iumyl)-10,20-bis(1-methyl-3-quinolin-1-iumyl)-21,22-dihydroporphyrin IUPAC Name: 5,15-bis(1-methylpyridin-1-ium-3-yl)-10,20-bis(1-methylquinolin-1-ium-3-yl)-21,22-dihydroporphyrin Traditional Name: 5,15-bis(1-methylpyridin-1-ium-3-yl)-10,20-bis(1-methylquinolin-1-ium-3-yl)-21,22-dihydroporphine Formula: C52H42N8+4 MolecularWeight: 778.94348

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC8=CC=CC=C8[N+](=C7)C)C=C5)C9=C[N+](=CC=C9)C)C=C4)C1=CC2=CC=CC=C2[N+](=C1)C)N3

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC8=CC=CC=C8[N+](=C7)C)C=C5)C9=C[N+](=CC=C9)C)C=C4)C1=CC2=CC=CC=C2[N+](=C1)C)N3

InChI

InChI=1S/C52H42N8/c1-57-25-9-13-35(29-57)49-39-17-21-43(53-39)51(37-27-33-11-5-7-15-47(33)59(3)31-37)45-23-19-41(55-45)50(36-14-10-26-58(2)30-36)42-20-24-46(56-42)52(44-22-18-40(49)54-44)38-28-34-12-6-8-16-48(34)60(4)32-38/h5-32,53-54H,1-4H3/q+4