benzene; cobalt(3+); 2-methyl-5,10,15,20-tetraphenyl-porphyrin-22,24-diide

Systemtic Name: benzene; cobalt(3+); 2-methyl-5,10,15,20-tetraphenyl-porphyrin-22,24-diide Openeye Name: cobaltic; benzene; 2-methyl-5,10,15,20-tetraphenyl-porphyrin-22,24-diide CAS Name: benzene; cobalt(3+); 2-methyl-5,10,15,20-tetraphenylporphyrin-22,24-diide IUPAC Name: benzene; cobalt(3+); 2-methyl-5,10,15,20-tetraphenylporphyrin-22,24-diide Traditional Name: cobaltic; benzene; 2-methyl-5,10,15,20-tetraphenyl-porphine-22,24-diide Formula: C51H35CoN4 MolecularWeight: 762.7836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC1=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC(=C2C6=CC=CC=C6)[N-]5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9.C1=CC=[C-]C=C1.[Co+3]

Isomeric SMILES

CC1=CC2=NC1=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC(=C2C6=CC=CC=C6)[N-]5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9.C1=CC=[C-]C=C1.[Co+3]

InChI

InChI=1S/C45H30N4.C6H5.Co/c1-29-28-40-43(32-18-10-4-11-19-32)38-25-24-36(47-38)41(30-14-6-2-7-15-30)34-22-23-35(46-34)42(31-16-8-3-9-17-31)37-26-27-39(48-37)44(45(29)49-40)33-20-12-5-13-21-33;1-2-4-6-5-3-1;/h2-28H,1H3;1-5H;/q-2;-1;+3