methyl 4-[10,15,20-tris(4-methylphenyl)-21,22-dihydroporphyrin-5-yl]benzoate

Systemtic Name: methyl 4-[10,15,20-tris(4-methylphenyl)-21,22-dihydroporphyrin-5-yl]benzoate Openeye Name: methyl 4-[10,15,20-tris(p-tolyl)-21,22-dihydroporphyrin-5-yl]benzoate CAS Name: 4-[10,15,20-tris(4-methylphenyl)-21,22-dihydroporphyrin-5-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[10,15,20-tris(4-methylphenyl)-21,22-dihydroporphyrin-5-yl]benzoate Traditional Name: 4-[10,15,20-tris(p-tolyl)-21,22-dihydroporphin-5-yl]benzoic acid methyl ester Formula: C49H38N4O2 MolecularWeight: 714.85162

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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)C9=CC=C(C=C9)C(=O)OC)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)C9=CC=C(C=C9)C(=O)OC)N3

InChI

InChI=1S/C49H38N4O2/c1-29-5-11-32(12-6-29)45-37-21-23-39(50-37)46(33-13-7-30(2)8-14-33)41-25-27-43(52-41)48(35-17-19-36(20-18-35)49(54)55-4)44-28-26-42(53-44)47(40-24-22-38(45)51-40)34-15-9-31(3)10-16-34/h5-28,52-53H,1-4H3