2,17,18,20-tetrapyridin-3-yl-21,22-dihydroporphyrin

Systemtic Name: 2,17,18,20-tetrapyridin-3-yl-21,22-dihydroporphyrin Openeye Name: 2,17,18,20-tetrakis(3-pyridyl)-21,22-dihydroporphyrin CAS Name: 2,17,18,20-tetrakis(3-pyridinyl)-21,22-dihydroporphyrin IUPAC Name: 2,17,18,20-tetrapyridin-3-yl-21,22-dihydroporphyrin Traditional Name: 2,17,18,20-tetrakis(3-pyridyl)-21,22-dihydroporphine Formula: C40H26N8 MolecularWeight: 618.68804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=CN=CC=C7)C8=CN=CC=C8)C9=CN=CC=C9

Isomeric SMILES

C1=CC(=CN=C1)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=CN=CC=C7)C8=CN=CC=C8)C9=CN=CC=C9

InChI

InChI=1S/C40H26N8/c1-5-25(21-41-13-1)34-19-33-18-31-10-9-29(45-31)17-30-11-12-32(46-30)20-35-36(26-6-2-14-42-22-26)37(27-7-3-15-43-23-27)40(48-35)38(39(34)47-33)28-8-4-16-44-24-28/h1-24,45,47H