Rapid Access to Emission‐Tunable Organelle‐Targeted Aggregation‐Induced Emission Luminogens Through One‐Pot Skeletal Editing

ABSTRACT Advances in material science have intensified the focus on structure–activity relationships (SAR), with big data models facilitating more efficient SAR analysis. Skeletal editing enables precise atomic‐level modification of structural cores, facilitating the direct construction of complex molecules. However, editing simple isoquinolines into more complex π‐extended phenanthridines via a one‐pot process remains unexplored. These π‐extended phenanthridines are significant in material science and medicinal chemistry due to their unique structural characteristics and photophysical properties. Herein, we report the first skeletal editing methodology for rapidly transforming readily available isoquinolines into (dihydrodibenzo[ c , i ]phenanthridin‐6‐yl)diphenylphosphine oxides (DHBPPO) derivatives. These DHBPPO derivatives exhibit tunable emission, aggregation‐induced emission (AIE) properties, organelle‐targeted specificity, and significant anti‐tumor activity in vitro. Our findings provide a promising platform for SAR studies and the development of new luminescent functional materials.