4-[(4Z,9Z,19Z)-10,15,20-tripyridin-4-yl-15,23-dihydroporphyrin-5-yl]benzoic acid

Systemtic Name: 4-[(4Z,9Z,19Z)-10,15,20-tripyridin-4-yl-15,23-dihydroporphyrin-5-yl]benzoic acid Openeye Name: 4-[(4Z,9Z,19Z)-10,15,20-tris(4-pyridyl)-15,23-dihydroporphyrin-5-yl]benzoic acid CAS Name: 4-[(4Z,9Z,19Z)-10,15,20-tripyridin-4-yl-15,23-dihydroporphyrin-5-yl]benzoic acid IUPAC Name: 4-[(4Z,9Z,19Z)-10,15,20-tripyridin-4-yl-15,23-dihydroporphyrin-5-yl]benzoic acid Traditional Name: 4-[(4Z,9Z,19Z)-10,15,20-tris(4-pyridyl)-15,23-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(=N3)C(=C4C=CC(=N4)C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=NC=C7)C8=CC=NC=C8)C9=CC=NC=C9)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C/2=C/3\C=CC(=N3)/C(=C\4/C=CC(=N4)C(C5=CC=C(N5)/C(=C\6/C=CC2=N6)/C7=CC=NC=C7)C8=CC=NC=C8)/C9=CC=NC=C9)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/h1-24,41,48H,(H,50,51)/b38-31-,39-32-,40-35-