5,10,15,20-tetrakis(2-fluoranylpyridin-3-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(2-fluoranylpyridin-3-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(2-fluoro-3-pyridyl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(2-fluoro-3-pyridinyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(2-fluoropyridin-3-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(2-fluoro-3-pyridyl)-21,22-dihydroporphine Formula: C40H22F4N8 MolecularWeight: 690.649893

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H22F4N8/c41-37-21(5-1-17-45-37)33-25-9-11-27(49-25)34(22-6-2-18-46-38(22)42)29-13-15-31(51-29)36(24-8-4-20-48-40(24)44)32-16-14-30(52-32)35(28-12-10-26(33)50-28)23-7-3-19-47-39(23)43/h1-20,49-50H