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

Systemtic Name: butyl 4-[10,15,20-tris(4-methylphenyl)-21,22-dihydroporphyrin-5-yl]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C52H44N4O2 MolecularWeight: 756.93136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=C(C=C7)C)C=C5)C8=CC=C(C=C8)C)C=C4)C9=CC=C(C=C9)C)N3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=C(C=C7)C)C=C5)C8=CC=C(C=C8)C)C=C4)C9=CC=C(C=C9)C)N3

InChI

InChI=1S/C52H44N4O2/c1-5-6-31-58-52(57)39-21-19-38(20-22-39)51-46-29-27-44(55-46)49(36-15-9-33(3)10-16-36)42-25-23-40(53-42)48(35-13-7-32(2)8-14-35)41-24-26-43(54-41)50(45-28-30-47(51)56-45)37-17-11-34(4)12-18-37/h7-30,55-56H,5-6,31H2,1-4H3