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Dicarba[26]hexaporphyrinoids(1.1.1.1.1.1) with an Embedded Cyclopentene Moiety-Conformational Switching.

Anna BerlickaJustyna StanowskaMichał J BiałekKatarzyna A ŚlepokuraLechosław Latos-Grażyński
Published in: Chemistry (Weinheim an der Bergstrasse, Germany) (2020)
Incorporation of cyclopentene fragments into a skeleton of parental [26]hexaphyrin(1.1.1.1.1.1) afforded extended carbaporphyrinoids: 31,34-dicarbahexa[26]chlorin and its derivatives: the first externally substituted by ethoxy and 2,4,6-trimethylbenzylidene groups and the second one formed by selective oxidation of one cyclopentene ring. Macrocycles adopt dumbbell-shaped conformations with two meso hydrogen atoms located inside the macrocyclic cavity. Protonation of 31,34-dicarba[26]hexachlorins provided dications existing in dumbbell-shaped and rectangular conformations.
Keyphrases
  • photodynamic therapy
  • molecular docking
  • molecular dynamics simulations
  • molecular dynamics
  • single molecule
  • hydrogen peroxide
  • structure activity relationship