copper 5,10,15,20-tetrapyridin-3-ylporphyrin-22,24-diide

Systemtic Name: copper 5,10,15,20-tetrapyridin-3-ylporphyrin-22,24-diide Openeye Name: copper 5,10,15,20-tetrakis(3-pyridyl)porphyrin-22,24-diide CAS Name: copper 5,10,15,20-tetrakis(3-pyridinyl)porphyrin-22,24-diide IUPAC Name: copper 5,10,15,20-tetrapyridin-3-ylporphyrin-22,24-diide Traditional Name: cupric 5,10,15,20-tetrakis(3-pyridyl)porphine-22,24-diide Formula: C40H24CuN8 MolecularWeight: 680.21816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CN=CC=C7)C8=CN=CC=C8)C=C4)C9=CN=CC=C9)[N-]3.[Cu+2]

Isomeric SMILES

C1=CC(=CN=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CN=CC=C7)C8=CN=CC=C8)C=C4)C9=CN=CC=C9)[N-]3.[Cu+2]

InChI

InChI=1S/C40H24N8.Cu/c1-5-25(21-41-17-1)37-29-9-11-31(45-29)38(26-6-2-18-42-22-26)33-13-15-35(47-33)40(28-8-4-20-44-24-28)36-16-14-34(48-36)39(27-7-3-19-43-23-27)32-12-10-30(37)46-32;/h1-24H;/q-2;+2