3,3-dimethyl-10-(4-methylphenyl)-5-(2-phenylethynyl)-15-(2,4,6-trimethylphenyl)-23,24-dihydroporphyrin-2-one

Systemtic Name: 3,3-dimethyl-10-(4-methylphenyl)-5-(2-phenylethynyl)-15-(2,4,6-trimethylphenyl)-23,24-dihydroporphyrin-2-one Openeye Name: 3,3-dimethyl-5-(2-phenylethynyl)-10-(p-tolyl)-15-(2,4,6-trimethylphenyl)-23,24-dihydroporphyrin-2-one CAS Name: 3,3-dimethyl-10-(4-methylphenyl)-5-(2-phenylethynyl)-15-(2,4,6-trimethylphenyl)-23,24-dihydroporphyrin-2-one IUPAC Name: 3,3-dimethyl-10-(4-methylphenyl)-5-(2-phenylethynyl)-15-(2,4,6-trimethylphenyl)-23,24-dihydroporphyrin-2-one Traditional Name: 15-mesityl-3,3-dimethyl-5-(2-phenylethynyl)-10-(p-tolyl)-23,24-dihydroporphin-2-one Formula: C46H38N4O MolecularWeight: 662.82012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C(C(=O)C(=N4)C=C5C=CC(=C(C6=CC=C2N6)C7=C(C=C(C=C7C)C)C)N5)(C)C)C#CC8=CC=CC=C8

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C(C(=O)C(=N4)C=C5C=CC(=C(C6=CC=C2N6)C7=C(C=C(C=C7C)C)C)N5)(C)C)C#CC8=CC=CC=C8

InChI

InChI=1S/C46H38N4O/c1-27-12-15-32(16-13-27)42-36-21-20-35(48-36)34(18-14-31-10-8-7-9-11-31)44-46(5,6)45(51)40(50-44)26-33-17-19-38(47-33)43(39-23-22-37(42)49-39)41-29(3)24-28(2)25-30(41)4/h7-13,15-17,19-26,47,49H,1-6H3