cobalt(3+); 2-methanidyl-2-methyl-propane; 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diide

Systemtic Name: cobalt(3+); 2-methanidyl-2-methyl-propane; 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diide Openeye Name: cobaltic; 2-methanidyl-2-methyl-propane; 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diide CAS Name: cobalt(3+); 2-methanidyl-2-methylpropane; 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diide IUPAC Name: cobalt(3+); 2-methanidyl-2-methylpropane; 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrin-22,24-diide Traditional Name: cobaltic; 2-methanidyl-2-methyl-propane; 5,10,15,20-tetramesitylporphine-22,24-diide Formula: C61H63CoN4 MolecularWeight: 911.11292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=C(C=C(C=C7C)C)C)C8=C(C=C(C=C8C)C)C)C=C4)C9=C(C=C(C=C9C)C)C)[N-]3)C.CC(C)(C)[CH2-].[Co+3]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=C(C=C(C=C7C)C)C)C8=C(C=C(C=C8C)C)C)C=C4)C9=C(C=C(C=C9C)C)C)[N-]3)C.CC(C)(C)[CH2-].[Co+3]

InChI

InChI=1S/C56H52N4.C5H11.Co/c1-29-21-33(5)49(34(6)22-29)53-41-13-15-43(57-41)54(50-35(7)23-30(2)24-36(50)8)45-17-19-47(59-45)56(52-39(11)27-32(4)28-40(52)12)48-20-18-46(60-48)55(44-16-14-42(53)58-44)51-37(9)25-31(3)26-38(51)10;1-5(2,3)4;/h13-28H,1-12H3;1H2,2-4H3;/q-2;-1;+3