5,10,20-tris(4-methylphenyl)-15-(2-propoxyphenyl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,20-tris(4-methylphenyl)-15-(2-propoxyphenyl)-21,22-dihydroporphyrin Openeye Name: 15-(2-propoxyphenyl)-5,10,20-tris(p-tolyl)-21,22-dihydroporphyrin CAS Name: 5,10,20-tris(4-methylphenyl)-15-(2-propoxyphenyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,20-tris(4-methylphenyl)-15-(2-propoxyphenyl)-21,22-dihydroporphyrin Traditional Name: 15-(2-propoxyphenyl)-5,10,20-tris(p-tolyl)-21,22-dihydroporphine Formula: C50H42N4O MolecularWeight: 714.89468

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)N4)C9=CC=C(C=C9)C

Isomeric SMILES

CCCOC1=CC=CC=C1C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)N4)C9=CC=C(C=C9)C

InChI

InChI=1S/C50H42N4O/c1-5-30-55-46-9-7-6-8-37(46)50-44-28-26-42(53-44)48(35-18-12-32(3)13-19-35)40-24-22-38(51-40)47(34-16-10-31(2)11-17-34)39-23-25-41(52-39)49(43-27-29-45(50)54-43)36-20-14-33(4)15-21-36/h6-29,51-52H,5,30H2,1-4H3