9,9-bis(phenyldimethylsilyl)-1,3-diphenyl-9-silafluorene | 1430802-60-0

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: 9,9-bis(phenyldimethylsilyl)-1,3-diphenyl-9-silafluorene
• 英文别名: [5-[Dimethyl(phenyl)silyl]-2,4-diphenylbenzo[b][1]benzosilol-5-yl]-dimethyl-phenylsilane；[5-[dimethyl(phenyl)silyl]-2,4-diphenylbenzo[b][1]benzosilol-5-yl]-dimethyl-phenylsilane
• CAS: 1430802-60-0
• 化学式: C₄₀H₃₈Si₃
• 分子量: 602.998
• InChiKey: DUUFSLXSWCJHKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.95
• 重原子数：
  43
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  2-溴-1,3,5-三嗪-2-三苯基苯 在 正丁基锂 、 四氯化硅 、 lithium 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 为溶剂， 反应 10.0h， 生成 9,9-bis(phenyldimethylsilyl)-1,3-diphenyl-9-silafluorene
  参考文献：
  名称：

  Synthesis and Photophysical Properties of Asymmetric Substituted Silafluorenes

  摘要：

  Several 1,3-diphenyl-substituted silafluorene compounds were synthesized and characterized as potential fluorescent materials for OLED fabrication and bioimaging. Introducing phenyl groups into the silafluorene ring at the land 3-positions led to a red shift in the emission, resulting in blue light emitting compounds (lambda(max) 368-375 nm in solution; lambda(max) 362-371 and 482 nm in the solid state), and improved the quantum yield efficiency both in solution and as solids. Aggregation enhanced emission of the silafluorenes (AEE) was also investigated. Theoretical MO calculations were carried out to aid in understanding the optical properties of these molecules. Since these compounds might be useful in bioimaging, their toxicity was also investigated in skin fibroblast cells. All compounds were found to be nontoxic to the investigated cell cultures.

  DOI：

  10.1021/om300891n

文献信息

• Synthesis and Photophysical Properties of Asymmetric Substituted Silafluorenes
  作者：Erika Pusztai、Irina S. Toulokhonova、Nicole Temple、Haley Albright、Uzma I. Zakai、Song Guo、Ilia A. Guzei、Rongrong Hu、Robert West

  DOI：10.1021/om300891n

  日期：2013.5.13

  Several 1,3-diphenyl-substituted silafluorene compounds were synthesized and characterized as potential fluorescent materials for OLED fabrication and bioimaging. Introducing phenyl groups into the silafluorene ring at the land 3-positions led to a red shift in the emission, resulting in blue light emitting compounds (lambda(max) 368-375 nm in solution; lambda(max) 362-371 and 482 nm in the solid state), and improved the quantum yield efficiency both in solution and as solids. Aggregation enhanced emission of the silafluorenes (AEE) was also investigated. Theoretical MO calculations were carried out to aid in understanding the optical properties of these molecules. Since these compounds might be useful in bioimaging, their toxicity was also investigated in skin fibroblast cells. All compounds were found to be nontoxic to the investigated cell cultures.