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In this study, we have synthesized two novel rotor molecules, <jats:bold>NBN1<\/jats:bold> and <jats:bold>NBN2<\/jats:bold>, by incorporating benzodithiophene (<jats:bold>BDT<\/jats:bold>) as the donor core and naphthalic anhydride\/naphthalimide (<jats:bold>NA<\/jats:bold>\/<jats:bold>NI)<\/jats:bold> moieties as acceptors using Pd\u2010catalyzed Stille coupling reactions. These molecules exhibited distinct charge transfer (CT) behavior in both their absorption and emission spectra and displayed prominent emission solvatochromism. Notably, <jats:bold>NBN1<\/jats:bold> exhibited better CT properties among the two molecules. Moreover, these A\u2013D\u2013A molecular rotors demonstrated remarkable sensitivities of their emission spectra toward solvent polarities and temperatures. Rotors <jats:bold>NBN1 and NBN2<\/jats:bold> showed positive temperature coefficients with internal temperature sensitivities of 0.34% \u00b0C<jats:sup>\u22121<\/jats:sup> and 0.13% \u00b0C<jats:sup>\u22121<\/jats:sup> in chloroform, respectively, and thus hold significant promise for detecting temperature variations in cellular microenvironment. Furthermore, we have modeled these molecules with graphitic carbon nitride (<jats:italic>g<\/jats:italic>\u2010C<jats:sub>3<\/jats:sub>N<jats:sub>4<\/jats:sub>) to form composite systems and performed theoretical calculations to obtain valuable insights into their charge transfer behavior. Theoretical results suggested that these molecules have the potential to efficiently sensitize and modulate the band gap of <jats:italic>g\u2010<\/jats:italic>C<jats:sub>3<\/jats:sub>N<jats:sub>4<\/jats:sub> and show potential for diverse photocatalytic applications.<\/jats:p>","DOI":"10.1111\/php.13931","type":"journal-article","created":{"date-parts":[[2024,3,9]],"date-time":"2024-03-09T06:14:47Z","timestamp":1709964887000},"page":"1055-1067","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Molecular rotors of naphthalimide and benzodithiophene as effective solvent polarity probes, temperature sensors, and for <scp><i>g<\/i>\u2010C<sub>3<\/sub>N<sub>4<\/sub><\/scp> sensitization"],"prefix":"10.1111","volume":"100","author":[{"given":"Anita","family":"Kumari","sequence":"first","affiliation":[{"name":"Department of Chemical Sciences Indian Institute of Science Education and Research (IISER) Mohali  Mohali 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