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CAS 70152-54-4

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3,3′,3′′,3′′′-(21H,23H-Porphine-5,10,15,20-tetrayl)tetrakis[benzoic acid]

Description:
3,3′,3′′,3′′′-(21H,23H-Porphine-5,10,15,20-tetrayl)tetrakis[benzoic acid], with the CAS number 70152-54-4, is a complex organic compound characterized by its porphyrin structure, which consists of a cyclic tetrapyrrole framework. This compound features four benzoic acid moieties attached to the porphyrin core, enhancing its solubility and reactivity. The presence of multiple carboxylic acid groups contributes to its potential as a ligand in coordination chemistry, allowing it to form complexes with various metal ions. Its unique structure imparts significant optical properties, making it useful in applications such as photodynamic therapy and as a dye in various fields. Additionally, the compound may exhibit interesting electrochemical behavior due to the conjugated system of the porphyrin, which can facilitate electron transfer processes. Overall, its multifunctional characteristics make it a subject of interest in materials science, medicinal chemistry, and nanotechnology.
Formula:C48H30N4O8
InChI:InChI=1S/C48H30N4O8/c53-45(54)29-9-1-5-25(21-29)41-33-13-15-35(49-33)42(26-6-2-10-30(22-26)46(55)56)37-17-19-39(51-37)44(28-8-4-12-32(24-28)48(59)60)40-20-18-38(52-40)43(36-16-14-34(41)50-36)27-7-3-11-31(23-27)47(57)58/h1-24,49,52H,(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b41-33-,41-34?,42-35-,42-37?,43-36-,43-38?,44-39-,44-40?
InChI key:InChIKey=KTDODSLHBMLUSL-VQHGFYMWSA-N
SMILES:C(O)(=O)C=1C=C(C=2C=3NC(=CC3)C(=C4N=C(C=C4)C(=C5NC(=C(C6=NC2C=C6)C7=CC(C(O)=O)=CC=C7)C=C5)C8=CC(C(O)=O)=CC=C8)C9=CC(C(O)=O)=CC=C9)C=CC1
Synonyms:
  • meso-Tetrakis(3-carboxyphenyl)porphine
  • meso-Tetrakis(m-carboxyphenyl)porphine
  • 3,3′,3′′,3′′′-(21H,23H-Porphine-5,10,15,20-tetrayl)tetrakis[benzoic acid]
  • Benzoic acid, 3,3′,3′′,3′′′-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-
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