[Ir(ppy)2(5,6-dime-1,10-phenthroline)]PF6 | 958243-05-5

• 英文名称: [Ir(ppy)2(5,6-dime-1,10-phenthroline)]PF6
• 英文别名: bis(2-phenylpyridine-C²,N')(5,6-dimethyl-1,10-phenanthroline-N,N')iridium(III)hexafluorophosphate；[Ir(ppy)₂(5,6-dime-1,10-phenthroline)]PF6；[Ir(ppy)₂(5,6-dimephen)]PF6；[Ir(ppy)2(5-Me,6-Me-1,10-phen)]PF6；[Ir(2-phenylpyridine(-H))2(5,6-dimethyl-1,10-phenanthroline)](hexafluorophosphate)
• CAS: 958243-05-5
• 化学式: C₃₆H₂₈IrN₄*F₆P
• 分子量: 853.829
• InChiKey: FYUFGAQKRPDODJ-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：

  2-苯基吡啶 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 12.0h， 生成 [Ir(ppy)2(5,6-dime-1,10-phenthroline)]PF6
  参考文献：
  名称：

  铑（III）配合物拮抗STAT3二聚体

  摘要：

  运动惰性金属络合物已成为现有铂和钌化学治疗剂的有前途的替代品。据我们所知，本文报道的是第9类有机取代化合物的惰性惰性化合物，它是信号转导子和转录激活因子3（STAT3）二聚化的直接抑制剂。从一系列环金属化的铑（III）和铱（III）配合物中，铑（III）配合物作为STAT3的有效抑制剂出现，该抑制剂靶向SH2结构域并抑制STAT3磷酸化和二聚化。值得注意的是，该复合物在体内小鼠黑色素瘤异种移植模型中显示出强大的抗肿瘤活性。这项研究表明，铑配合物可能被开发为具有有效抗肿瘤活性的有效STAT3抑制剂。

  DOI：

  10.1002/anie.201404686

文献信息

• Iridium-based light-emitting electrochemical cells containing ionic liquids in the luminous layer
  作者：Sujin Park、Danbi Moon、Sunesh C. Damodharan、Midhun Chandran、Youngson Choe

  DOI：10.1016/j.materresbull.2012.04.122

  日期：2012.10

  To fabricate transition metal complex-based LECs (light-emitting electrochemical cells), ([Ir(PPY)(2)(5,6-dime-1,10-phenthroline)]PF6 was synthesized and used as a luminous material and ILs (ionic liquids) were incorporated into a luminous layer, in which two types of ionic liquid were used: 1-butyl-3-methylimidazolium hexafluorophosphate (BMIMPF6) and 1-butyl-3-methylimidazolium tetrafluoroborate (BMIMBF4). ILs were added to a Pr(ppy)(2)(5,6-dime-1,10-phenthroline)]PF6 luminous layer to improve ionic conductivity and light intensity. Both ILs significantly increased the current density and luminance. Due to the small molecule of BF4-, turn-on time was reduced and ionic conductivity was increased. However, the device stability was sacrificed. High current efficiency of 34.5 cd/A was investigated at 7 V of BMIMPF6-doped luminous layer. The LECs based on [Ir(ppy)(2)(5,6-dime-1,10-phenthroline)]PF6 gave yellow emission color when ILs were added into light-emitting layer, and no significant change of color has been found in this study. (C) 2012 Elsevier Ltd. All rights reserved.
• The Role of Substituents on Functionalized 1,10-Phenanthroline in Controlling the Emission Properties of Cationic Iridium(III) Complexes of Interest for Electroluminescent Devices
  作者：Claudia Dragonetti、Luigi Falciola、Patrizia Mussini、Stefania Righetto、Dominique Roberto、Renato Ugo、Adriana Valore、Filippo De Angelis、Simona Fantacci、Antonio Sgamellotti、Miguel Ramon、Michele Muccini

  DOI：10.1021/ic700414z

  日期：2007.10.1

  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.