5,10,15,20-tetrakis(3-fluoranyl-1-methyl-pyridin-1-ium-4-yl)-21,22-dihydroporphyrin

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

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=[N+](C=C7)C)F)C8=C(C=[N+](C=C8)C)F)C9=C(C=[N+](C=C9)C)F)N3)F

Isomeric SMILES

C[N+]1=CC(=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=[N+](C=C7)C)F)C8=C(C=[N+](C=C8)C)F)C9=C(C=[N+](C=C9)C)F)N3)F

InChI

InChI=1S/C44H33F4N8/c1-53-17-13-25(29(45)21-53)41-33-5-7-35(49-33)42(26-14-18-54(2)22-30(26)46)37-9-11-39(51-37)44(28-16-20-56(4)24-32(28)48)40-12-10-38(52-40)43(36-8-6-34(41)50-36)27-15-19-55(3)23-31(27)47/h5-24H,1-4H3,(H,49,50,51,52)/q+3/p+1