methyl 2-[10,15,20-tris(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]benzoate

Systemtic Name: methyl 2-[10,15,20-tris(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]benzoate Openeye Name: methyl 2-[10,15,20-tris(p-tolyl)-23,24-dihydroporphyrin-5-yl]benzoate CAS Name: 2-[10,15,20-tris(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[10,15,20-tris(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]benzoate Traditional Name: 2-[10,15,20-tris(p-tolyl)-23,24-dihydroporphin-5-yl]benzoic acid methyl ester Formula: C49H38N4O2 MolecularWeight: 714.85162

Click to see the large picture

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=CC=C7C(=O)OC)C8=CC=C(C=C8)C)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=CC=C7C(=O)OC)C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)N3

InChI

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