CAS 502467-23-4
:2-(5-{[(2-{[bis(pyridin-2-ylmethyl)amino]methyl}phenyl)amino]methyl}-2-chloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
Description:
The chemical substance known as 2-(5-{[(2-{[bis(pyridin-2-ylmethyl)amino]methyl}phenyl)amino]methyl}-2-chloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid, with the CAS number 502467-23-4, is a complex organic compound characterized by its intricate molecular structure. It features multiple functional groups, including an amino group, a carboxylic acid, and a chloro substituent, which contribute to its potential reactivity and solubility properties. The presence of pyridine rings suggests that it may exhibit coordination chemistry, potentially interacting with metal ions. The xanthene moiety indicates that it may possess fluorescent properties, making it of interest in applications such as bioimaging or as a dye. Additionally, the compound's structure suggests it could have biological activity, possibly serving as a ligand or a pharmacophore in medicinal chemistry. Its synthesis and characterization would require advanced techniques such as NMR spectroscopy, mass spectrometry, and possibly X-ray crystallography to elucidate its three-dimensional arrangement and confirm its purity.
Formula:C40H31ClN4O5
InChI:InChI=1/C40H31ClN4O5/c41-33-19-31-37(20-36(33)47)50-39-30(38(31)28-12-2-3-13-29(28)40(48)49)15-16-35(46)32(39)21-44-34-14-4-1-9-25(34)22-45(23-26-10-5-7-17-42-26)24-27-11-6-8-18-43-27/h1-20,44,46H,21-24H2,(H,48,49)
SMILES:c1ccc(c(c1)CN(Cc1ccccn1)Cc1ccccn1)NCc1c(ccc2c(c3ccccc3C(=O)O)c3cc(c(=O)cc3oc12)Cl)O
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