2-methyl-4-[5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin-2-yl]but-3-yn-2-ol

Systemtic Name: 2-methyl-4-[5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin-2-yl]but-3-yn-2-ol Openeye Name: 2-methyl-4-[5,10,15,20-tetrakis(p-tolyl)-21,22-dihydroporphyrin-2-yl]but-3-yn-2-ol CAS Name: 2-methyl-4-[5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin-2-yl]-3-butyn-2-ol IUPAC Name: 2-methyl-4-[5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin-2-yl]but-3-yn-2-ol Traditional Name: 2-methyl-4-[5,10,15,20-tetrakis(p-tolyl)-21,22-dihydroporphin-2-yl]but-3-yn-2-ol Formula: C53H44N4O MolecularWeight: 752.94266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC(=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C#CC(C)(C)O)C9=CC=C(C=C9)C)N3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC(=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C#CC(C)(C)O)C9=CC=C(C=C9)C)N3

InChI

InChI=1S/C53H44N4O/c1-32-7-15-36(16-8-32)48-41-23-24-42(54-41)49(37-17-9-33(2)10-18-37)44-27-28-46(56-44)51(39-21-13-35(4)14-22-39)52-40(29-30-53(5,6)58)31-47(57-52)50(45-26-25-43(48)55-45)38-19-11-34(3)12-20-38/h7-28,31,55,57-58H,1-6H3