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

Systemtic Name: 4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)benzoic acid Openeye Name: 4-[10,15,20-tris(4-pyridyl)-21,22-dihydroporphyrin-5-yl]benzoic acid CAS Name: 4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)benzoic acid IUPAC Name: 4-(10,15,20-tripyridin-4-yl-21,22-dihydroporphyrin-5-yl)benzoic acid Traditional Name: 4-[10,15,20-tris(4-pyridyl)-21,22-dihydroporphin-5-yl]benzoic acid Formula: C42H27N7O2 MolecularWeight: 661.70948

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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)C(=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)C(=O)O

InChI

InChI=1S/C42H27N7O2/c50-42(51)29-3-1-25(2-4-29)38-30-5-7-32(46-30)39(26-13-19-43-20-14-26)34-9-11-36(48-34)41(28-17-23-45-24-18-28)37-12-10-35(49-37)40(27-15-21-44-22-16-27)33-8-6-31(38)47-33/h1-24,46-47H,(H,50,51)