Design and synthesis of water-soluble near-infrared (NIR) emissive fluorescent molecules with aggregation-induced emission (AIE) characteristics, perfect signal-to-noise ratio for imaging of organelle, and photodynamic therapy (PDT) functions has received enormous attention. However, the dual-functional NIR AIEgens of high-fidelity tracking lysosome and ablation cancer cells was rarely reported. Herein, a series of AIE luminogens (AIEgens) with a typical AIE effect, good biocompatibility, superior photostability, high brightness, and excellent reactive oxygen species (ROS) generation ability were developed, which had different electronic push–pull strength and conjugate system size in the molecular structure. These AIEgens could specifically “light up” and dynamically long-term track the lysosomes in living cells and zebrafish with ultrahigh colocalization imaging Pearson’s correlation coefficients (Rr: 0.9687) and overlap coefficient (R: 0.9967). Additionally, the MPAT of NIR luminescence as a photosensitizer was used for photodynamic ablation of cancer cells, owing to prompt generation of the ROS under green light irradiation (495–530 nm, 10 mW cm–2). Hence, this research not only expands the application range of NIR AIEgens but also provides useful insights into design of split-new method for the treatment of cancer.

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Achieving combined charge transfer pathways in novel thermally activated delayed fluorescence emitters with aggregation-induced emission features.

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