5,15-bis(1-methylpyridin-1-ium-4-yl)-10,20-bis(1-methylquinolin-1-ium-6-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,15-bis(1-methylpyridin-1-ium-4-yl)-10,20-bis(1-methylquinolin-1-ium-6-yl)-21,22-dihydroporphyrin Openeye Name: 5,15-bis(1-methylpyridin-1-ium-4-yl)-10,20-bis(1-methylquinolin-1-ium-6-yl)-21,22-dihydroporphyrin CAS Name: 5,15-bis(1-methyl-4-pyridin-1-iumyl)-10,20-bis(1-methyl-6-quinolin-1-iumyl)-21,22-dihydroporphyrin IUPAC Name: 5,15-bis(1-methylpyridin-1-ium-4-yl)-10,20-bis(1-methylquinolin-1-ium-6-yl)-21,22-dihydroporphyrin Traditional Name: 5,15-bis(1-methylpyridin-1-ium-4-yl)-10,20-bis(1-methylquinolin-1-ium-6-yl)-21,22-dihydroporphine Formula: C52H42N8+4 MolecularWeight: 778.94348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C52H41N8/c1-57-27-21-33(22-28-57)49-39-11-15-43(53-39)51(37-9-19-47-35(31-37)7-5-25-59(47)3)45-17-13-41(55-45)50(34-23-29-58(2)30-24-34)42-14-18-46(56-42)52(44-16-12-40(49)54-44)38-10-20-48-36(32-38)8-6-26-60(48)4/h5-32H,1-4H3,(H,53,54,55,56)/q+3/p+1