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

Systemtic Name: 5-(4-nitrophenyl)-10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin Openeye Name: 5-(4-nitrophenyl)-10,15,20-tris(4-pyridyl)-21,22-dihydroporphyrin CAS Name: 5-(4-nitrophenyl)-10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin IUPAC Name: 5-(4-nitrophenyl)-10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin Traditional Name: 5-(4-nitrophenyl)-10,15,20-tris(4-pyridyl)-21,22-dihydroporphine Formula: C41H26N8O2 MolecularWeight: 662.69754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=NC=C7)C=C5)C8=CC=NC=C8)C=C4)C9=CC=NC=C9)N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=NC=C7)C=C5)C8=CC=NC=C8)C=C4)C9=CC=NC=C9)N3)[N+](=O)[O-]

InChI

InChI=1S/C41H26N8O2/c50-49(51)29-3-1-25(2-4-29)38-30-5-7-32(45-30)39(26-13-19-42-20-14-26)34-9-11-36(47-34)41(28-17-23-44-24-18-28)37-12-10-35(48-37)40(27-15-21-43-22-16-27)33-8-6-31(38)46-33/h1-24,45-46H