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2250280-17-0

2250280-17-0 Structure

2250280-17-0 Structure
IdentificationBack Directory
[Name]

2PTZBN
[CAS]

2250280-17-0
[Synonyms]

2PTZBN
[1,4]Benzothiazino[4′′,3′′,2′′:1′,8′][1,4]benzazaborino[4′,3′,2′:4,5][1,4]benzazaborino[3,2,1-kl]phenothiazine
[Molecular Formula]

C30H17BN2S2
[MOL File]

2250280-17-0.mol
[Molecular Weight]

480.41
Chemical PropertiesBack Directory
[density ]

1.542±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
[pka]

-5.626±0.20(predicted)
Hazard InformationBack Directory
[Description]

2PTZBN is a multi-resonance thermally activated delayed fluorescence (MR-TADF) green emitter featuring a DABNA-1 triarylboron core. Two heavy sulfur atoms are incorporated opposite the nitrogen atoms to bridge the peripheral phenyl rings, resulting in a more rigid molecular structure. By incorporating non-metal sulfur atoms into the multi-resonance B–N framework, 2PTZBN can accelerate the reverse intersystem crossing (RISC) rate to up to 2.8 × 10^5 s⁻¹ in toluene, owing to its larger spin–orbit coupling (SOC) and smaller singlet–triplet energy splitting (ΔE_ST), compared with the oxygen-incorporated green MR-TADF emitter 2PXZBN (PXZ-BN).
[References]

[1] Hua, Tao, et al. “Heavy-Atom Effect Promotes Multi-Resonance Thermally Activated Delayed Fluorescence.” Chemical Engineering Journal, 426 1, 2021, p. 131169, https://doi.org/10.26434/chemrxiv.14046296.v1.
[2] Khyasudeen*, M. Faisal, et al. “Insights into High-Level Reverse Intersystem Crossing in a Multiresonance Thermally Activated Delayed Fluorescent Compound.” The Journal of Physical Chemistry C, 129 36, 2025, pp. 16122–30, https://doi.org/10.1021/acs.jpcc.5c01675.
[3] Hu, Yu Xuan, et al. “Efficient Selenium-Integrated TADF OLEDs with Reduced Roll-Off.” Nature Photonics, 16 11, 2022, pp. 803–10, https://doi.org/10.1038/s41566-022-01083-y.
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