This dataset contains the data supporting the Thesis "Endo-Functionalized Hosts for Selective Threading, Molecular Recognition and Supramolecular Stabilization in Water". Time-dependent 1H NMR Spectra, ITC titration data, UV-vis and Fluorescence spectra, Mass Spectra were well collected and analysed to confirm the chemical structures of studied chemical compounds, and reveal their chemical properties, especially in supramolecular chemistry and photo chemistry. The results were exhibited as pictures in TIFF and JPG formats.