15-(4-nitrophenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin

Systemtic Name: 15-(4-nitrophenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin Openeye Name: 15-(4-nitrophenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin CAS Name: 15-(4-nitrophenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin IUPAC Name: 15-(4-nitrophenyl)-5,10,20-triphenyl-21,22-dihydroporphyrin Traditional Name: 15-(4-nitrophenyl)-5,10,20-triphenyl-21,22-dihydroporphine Formula: C44H29N5O2 MolecularWeight: 659.73336

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Descriptors Computed from Structure

Canonical SMILES:

C1=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)[N+](=O)[O-])C8=CC=CC=C8)C9=CC=CC=C9)N3

Isomeric SMILES

C1=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)[N+](=O)[O-])C8=CC=CC=C8)C9=CC=CC=C9)N3

InChI

InChI=1S/C44H29N5O2/c50-49(51)32-18-16-31(17-19-32)44-39-26-24-37(47-39)42(29-12-6-2-7-13-29)35-22-20-33(45-35)41(28-10-4-1-5-11-28)34-21-23-36(46-34)43(30-14-8-3-9-15-30)38-25-27-40(44)48-38/h1-27,45-46H