2-(3,5,7-triphenyl-22,23-dihydroporphyrin-2-yl)benzoic acid

Systemtic Name: 2-(3,5,7-triphenyl-22,23-dihydroporphyrin-2-yl)benzoic acid Openeye Name: 2-(3,5,7-triphenyl-22,23-dihydroporphyrin-2-yl)benzoic acid CAS Name: 2-(3,5,7-triphenyl-22,23-dihydroporphyrin-2-yl)benzoic acid IUPAC Name: 2-(3,5,7-triphenyl-22,23-dihydroporphyrin-2-yl)benzoic acid Traditional Name: 2-(3,5,7-triphenyl-22,23-dihydroporphin-2-yl)benzoic acid Formula: C45H30N4O2 MolecularWeight: 658.7453

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=CC=CC=C7C(=O)O)C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C(=C4C(=C(C(=N4)C=C5C=CC(=N5)C=C6C=CC(=CC(=C2)N3)N6)C7=CC=CC=C7C(=O)O)C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C45H30N4O2/c50-45(51)37-19-11-10-18-36(37)42-39-27-34-23-22-32(47-34)24-31-20-21-33(46-31)25-35-26-38(28-12-4-1-5-13-28)43(48-35)41(30-16-8-3-9-17-30)44(49-39)40(42)29-14-6-2-7-15-29/h1-27,46,48H,(H,50,51)