5,10,20-tris(3-nitrophenyl)-15-phenyl-21,22-dihydroporphyrin

Systemtic Name: 5,10,20-tris(3-nitrophenyl)-15-phenyl-21,22-dihydroporphyrin Openeye Name: 5,10,20-tris(3-nitrophenyl)-15-phenyl-21,22-dihydroporphyrin CAS Name: 5,10,20-tris(3-nitrophenyl)-15-phenyl-21,22-dihydroporphyrin IUPAC Name: 5,10,20-tris(3-nitrophenyl)-15-phenyl-21,22-dihydroporphyrin Traditional Name: 5,10,20-tris(3-nitrophenyl)-15-phenyl-21,22-dihydroporphine Formula: C44H27N7O6 MolecularWeight: 749.72848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC(=CC=C7)[N+](=O)[O-])C8=CC(=CC=C8)[N+](=O)[O-])N4)C9=CC(=CC=C9)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC(=CC=C7)[N+](=O)[O-])C8=CC(=CC=C8)[N+](=O)[O-])N4)C9=CC(=CC=C9)[N+](=O)[O-]

InChI

InChI=1S/C44H27N7O6/c52-49(53)30-12-4-9-27(23-30)42-35-17-15-33(45-35)41(26-7-2-1-3-8-26)34-16-18-36(46-34)43(28-10-5-13-31(24-28)50(54)55)38-20-22-40(48-38)44(39-21-19-37(42)47-39)29-11-6-14-32(25-29)51(56)57/h1-25,47-48H