4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzoic acid

Systemtic Name: 4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzoic acid Openeye Name: 4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzoic acid CAS Name: 4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzoic acid IUPAC Name: 4-(10,15,20-triphenyl-23,24-dihydroporphyrin-5-yl)benzoic acid Traditional Name: 4-(10,15,20-triphenyl-23,24-dihydroporphin-5-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=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=O)O)C8=CC=CC=C8)C9=CC=CC=C9)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=O)O)C8=CC=CC=C8)C9=CC=CC=C9)N3

InChI

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