cobalt(2+); 2,17,18,20-tetrapyridin-2-yl-21,22-dihydroporphyrin

Systemtic Name: cobalt(2+); 2,17,18,20-tetrapyridin-2-yl-21,22-dihydroporphyrin Openeye Name: cobaltous 2,17,18,20-tetrakis(2-pyridyl)-21,22-dihydroporphyrin CAS Name: cobalt(2+); 2,17,18,20-tetrakis(2-pyridinyl)-21,22-dihydroporphyrin IUPAC Name: cobalt(2+); 2,17,18,20-tetrapyridin-2-yl-21,22-dihydroporphyrin Traditional Name: cobaltous 2,17,18,20-tetrakis(2-pyridyl)-21,22-dihydroporphine Formula: C40H26CoN8+2 MolecularWeight: 677.62124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=CC=CC=N7)C8=CC=CC=N8)C9=CC=CC=N9.[Co+2]

Isomeric SMILES

C1=CC=NC(=C1)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=CC=CC=N7)C8=CC=CC=N8)C9=CC=CC=N9.[Co+2]

InChI

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