15-(2,6-dinitrophenyl)-5,10,20-tris(4-methylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 15-(2,6-dinitrophenyl)-5,10,20-tris(4-methylphenyl)-21,22-dihydroporphyrin Openeye Name: 15-(2,6-dinitrophenyl)-5,10,20-tris(p-tolyl)-21,22-dihydroporphyrin CAS Name: 15-(2,6-dinitrophenyl)-5,10,20-tris(4-methylphenyl)-21,22-dihydroporphyrin IUPAC Name: 15-(2,6-dinitrophenyl)-5,10,20-tris(4-methylphenyl)-21,22-dihydroporphyrin Traditional Name: 15-(2,6-dinitrophenyl)-5,10,20-tris(p-tolyl)-21,22-dihydroporphine Formula: C47H34N6O4 MolecularWeight: 746.81066

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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=C(C=CC=C7[N+](=O)[O-])[N+](=O)[O-])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=C(C=CC=C7[N+](=O)[O-])[N+](=O)[O-])C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)N3

InChI

InChI=1S/C47H34N6O4/c1-27-7-13-30(14-8-27)43-33-19-21-35(48-33)44(31-15-9-28(2)10-16-31)37-23-25-39(50-37)46(47-41(52(54)55)5-4-6-42(47)53(56)57)40-26-24-38(51-40)45(36-22-20-34(43)49-36)32-17-11-29(3)12-18-32/h4-26,48-49H,1-3H3