cobalt(2+); 5,10,15,20-tetrakis(4-hexylphenyl)porphyrin-22,23-diide

Systemtic Name: cobalt(2+); 5,10,15,20-tetrakis(4-hexylphenyl)porphyrin-22,23-diide Openeye Name: cobaltous 5,10,15,20-tetrakis(4-hexylphenyl)porphyrin-22,23-diide CAS Name: cobalt(2+); 5,10,15,20-tetrakis(4-hexylphenyl)porphyrin-22,23-diide IUPAC Name: cobalt(2+); 5,10,15,20-tetrakis(4-hexylphenyl)porphyrin-22,23-diide Traditional Name: cobaltous 5,10,15,20-tetrakis(4-hexylphenyl)porphine-22,23-diide Formula: C68H76CoN4 MolecularWeight: 1008.29104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)CCCCCC)C8=CC=C(C=C8)CCCCCC)C9=CC=C(C=C9)CCCCCC)[N-]3.[Co+2]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)CCCCCC)C8=CC=C(C=C8)CCCCCC)C9=CC=C(C=C9)CCCCCC)[N-]3.[Co+2]

InChI

InChI=1S/C68H76N4.Co/c1-5-9-13-17-21-49-25-33-53(34-26-49)65-57-41-43-59(69-57)66(54-35-27-50(28-36-54)22-18-14-10-6-2)61-45-47-63(71-61)68(56-39-31-52(32-40-56)24-20-16-12-8-4)64-48-46-62(72-64)67(60-44-42-58(65)70-60)55-37-29-51(30-38-55)23-19-15-11-7-3;/h25-48H,5-24H2,1-4H3;/q-2;+2