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CAS 16595-48-5

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3H-Indolium, 2-[7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrien-1-yl]-1,3,3-trimethyl-, perchlorate (1:1)

Description:
3H-Indolium, 2-[7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrien-1-yl]-1,3,3-trimethyl-, perchlorate (1:1), commonly referred to by its CAS number 16595-48-5, is a synthetic organic compound characterized by its complex indolium structure. This substance features a positively charged indolium core, which is stabilized by the presence of a perchlorate anion. The compound exhibits notable photophysical properties, making it of interest in various applications, including organic electronics and dye-sensitized solar cells. Its structure includes multiple conjugated double bonds, contributing to its potential as a chromophore. Additionally, the presence of trimethyl groups enhances its solubility and stability in organic solvents. The perchlorate salt form indicates that it may have specific ionic interactions, influencing its reactivity and solubility. Overall, this compound is significant in the field of organic chemistry and materials science, particularly for its potential applications in photonic devices and as a dye in various industrial processes.
Formula:C29H33N2·ClO4
InChI:InChI=1S/C29H33N2.ClHO4/c1-28(2)22-16-12-14-18-24(22)30(5)26(28)20-10-8-7-9-11-21-27-29(3,4)23-17-13-15-19-25(23)31(27)6;2-1(3,4)5/h7-21H,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChI key:InChIKey=NHQOULZCPKJYMM-UHFFFAOYSA-M
SMILES:CC1(C)C=2C([N+](C)=C1C=CC=CC=CC=C3N(C)C=4C(C3(C)C)=CC=CC4)=CC=CC2.Cl(=O)(=O)(=O)[O-]
Synonyms:
  • NK 2421
  • 3H-Indolium, 1,3,3-trimethyl-2-[7-(1,3,3-trimethyl-2-indolinylidene)-1,3,5-heptatrienyl]-, monoperchlorate
  • 3H-Indolium, 2-[7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-1,3,3-trimethyl-, perchlorate
  • 3H-Indolium, 2-[7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1,3,5-heptatrien-1-yl]-1,3,3-trimethyl-, perchlorate (1:1)
  • 1,1′,3,3,3′,3′-Hexamethylindotricarbocyanine perchlorate
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