[Ir(ppy)2(5-NO2-1,10-phen)]PF6 | 958242-91-6

• 英文名称: [Ir(ppy)2(5-NO2-1,10-phen)]PF6
• 英文别名: [Ir(2-phenylpyridine(-H))2(5-nitro-1,10-phenanthroline)](hexafluorophosphate)
• CAS: 958242-91-6
• 化学式: C₃₄H₂₃IrN₅O₂*F₆P
• 分子量: 870.773
• InChiKey: WYDPYUGFEFIELA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 [iridium(III)(μ-chloro)(2-phenylpyridine)2]2 、 5-硝基-1,10-菲咯啉 以 甲醇 、 二氯甲烷 为溶剂， 以87%的产率得到[Ir(ppy)2(5-NO2-1,10-phen)]PF6
  参考文献：
  名称：

  The Role of Substituents on Functionalized 1,10-Phenanthroline in Controlling the Emission Properties of Cationic Iridium(III) Complexes of Interest for Electroluminescent Devices

  摘要：

  The photophysical and electrochemical properties of the novel complexes [Ir(ppy)(2)(5-X-1,10-phen)][PF6] (ppy = 2-phenylpyridine, phen = phenanthroline, X = NMe2, NO2), [Ir(pq)(2)(5-X-1,10-phen)][PF6] (pq = 2-phenylquinoline, X, = H, Me, NMe2, NO2), [Ir(ppy)(2)(4-Me,7-Me-1,10-phen)][PF6], [Ir(ppy)(2)(5-Me,6-Me-1,10-phen)][PF6], [Ir(ppy)(2)(2-Me,9-Me-1,10-phen)][PF6], and [Ir(pq)(2)(4-Ph,7-Ph-1,10-phen)][PF6] have been investigated and compared with those of the known reference complexes [Ir(ppy)(2)(4-Me or 5-H or 5-Me-1,10-phen)][PF6] and [Ir(ppy)(2)(4-Ph,7-Ph-1,10-phen)][PF6], showing how the nature and number of the phenanthroline substituents tune the color of the emission, its quantum yield, and the emission lifetime. It turns out that the quantum yield is strongly dependent on the nonradiative decay. The geometry, ground state, electronic structure, and excited electronic states of the investigated complexes have been calculated on the basis of density functional theory (DFT) and time-dependent DFT approaches, thus substantiating the electrochemical measurements and providing insight into the electronic origin of the absorption spectra and of the lowest excited states involved in the light emission process. These results provide useful guidelines for further tailoring of the photophysical properties of ionic Ir(III) complexes.

  DOI：

  10.1021/ic700414z

文献信息

• Design, Synthesis, and Anticancer Effect Studies of Iridium(III) Polypyridyl Complexes against SGC-7901 Cells
  作者：Li-Xia Zhang、Yi-Ying Gu、Yang-Jie Wang、Lan Bai、Fan Du、Wen-Yao Zhang、Miao He、Yun-Jun Liu、Yan-Zhong Chen

  DOI：10.3390/molecules24173129

  日期：——

  Three iridium(III) complexes ([Ir(Hppy)2(L)](PF6) (Hppy = 2-phenylpyridine, L = 5-nitrophenanthroline, NP), 1; 5-nitro-6-amino-phenanthroline (NAP), 2; and 5,6-diamino-phenanthroline (DAP) 3 were synthesized and characterized. The cytotoxicities of Ir(III) complexes 1–3 against cancer cell lines SGC-7901, A549, HeLa, Eca-109, HepG2, BEL-7402, and normal NIH 3T3 cells were investigated using the 3-(4

  高线粒体膜去极化和细胞 ATP 耗竭。Transwell 和集落形成试验表明复合物 1-3 也能有效抑制肿瘤细胞的转移和增殖。这些结果表明 1-3 通过 ROS 介导的线粒体损伤和 DNA 损伤途径以及抑制细胞侵袭诱导 SGC-7901 细胞凋亡，从而在体外发挥抗肿瘤细胞增殖活性。