5-(2-butoxyphenyl)-10,20-bis(4-methylphenyl)-15-(2-nitrophenyl)-21,22-dihydroporphyrin

Systemtic Name: 5-(2-butoxyphenyl)-10,20-bis(4-methylphenyl)-15-(2-nitrophenyl)-21,22-dihydroporphyrin Openeye Name: 5-(2-butoxyphenyl)-15-(2-nitrophenyl)-10,20-bis(p-tolyl)-21,22-dihydroporphyrin CAS Name: 5-(2-butoxyphenyl)-10,20-bis(4-methylphenyl)-15-(2-nitrophenyl)-21,22-dihydroporphyrin IUPAC Name: 5-(2-butoxyphenyl)-10,20-bis(4-methylphenyl)-15-(2-nitrophenyl)-21,22-dihydroporphyrin Traditional Name: 5-(2-butoxyphenyl)-15-(2-nitrophenyl)-10,20-bis(p-tolyl)-21,22-dihydroporphine Formula: C50H41N5O3 MolecularWeight: 759.89224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=C(C=C7)C)C=C5)C8=CC=CC=C8[N+](=O)[O-])C=C4)C9=CC=C(C=C9)C)N3

Isomeric SMILES

CCCCOC1=CC=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=C(C=C7)C)C=C5)C8=CC=CC=C8[N+](=O)[O-])C=C4)C9=CC=C(C=C9)C)N3

InChI

InChI=1S/C50H41N5O3/c1-4-5-30-58-46-13-9-7-11-36(46)50-43-28-24-39(53-43)47(33-18-14-31(2)15-19-33)37-22-26-41(51-37)49(35-10-6-8-12-45(35)55(56)57)42-27-23-38(52-42)48(40-25-29-44(50)54-40)34-20-16-32(3)17-21-34/h6-29,53-54H,4-5,30H2,1-3H3