cobalt(3+); 5,10,15-tris(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)porphyrin-22-ide

Systemtic Name: cobalt(3+); 5,10,15-tris(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)porphyrin-22-ide Openeye Name: cobaltic 5,10,15-tris(1-methylpyridin-1-ium-4-yl)-20-(1-methyl-4-pyridylidene)porphyrin-22-ide CAS Name: cobalt(3+); 5,10,15-tris(1-methyl-4-pyridin-1-iumyl)-20-(1-methyl-4-pyridinylidene)porphyrin-22-ide IUPAC Name: cobalt(3+); 5,10,15-tris(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)porphyrin-22-ide Traditional Name: cobaltic 5,10,15-tris(1-methylpyridin-1-ium-4-yl)-20-(1-methyl-4-pyridylidene)porphin-22-ide Formula: C44H36CoN8+5 MolecularWeight: 735.74344

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C=C4)C9=CC=[N+](C=C9)C)C=C3)C=C1.[Co+3]

Isomeric SMILES

CN1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C=C4)C9=CC=[N+](C=C9)C)C=C3)C=C1.[Co+3]

InChI

InChI=1S/C44H36N8.Co/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;/h5-28H,1-4H3;/q+2;+3