5,10,15,20-tetrakis(2-fluoranyl-1-methyl-pyridin-1-ium-3-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(2-fluoranyl-1-methyl-pyridin-1-ium-3-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(2-fluoro-1-methyl-pyridin-1-ium-3-yl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(2-fluoro-1-methyl-3-pyridin-1-iumyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(2-fluoro-1-methylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(2-fluoro-1-methyl-pyridin-1-ium-3-yl)-21,22-dihydroporphine Formula: C44H34F4N8+4 MolecularWeight: 750.787973

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1F)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C([N+](=CC=C7)C)F)C8=C([N+](=CC=C8)C)F)C9=C([N+](=CC=C9)C)F)N3

Isomeric SMILES

C[N+]1=CC=CC(=C1F)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C([N+](=CC=C7)C)F)C8=C([N+](=CC=C8)C)F)C9=C([N+](=CC=C9)C)F)N3

InChI

InChI=1S/C44H34F4N8/c1-53-21-5-9-25(41(53)45)37-29-13-15-31(49-29)38(26-10-6-22-54(2)42(26)46)33-17-19-35(51-33)40(28-12-8-24-56(4)44(28)48)36-20-18-34(52-36)39(32-16-14-30(37)50-32)27-11-7-23-55(3)43(27)47/h5-24,49-50H,1-4H3/q+4