1-(9,9-dihexadecyl-7-((4-nitrophenyl)ethynyl)-9H-fluoren-2-yl)ethan-1-one | 1380049-19-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 1-(9,9-dihexadecyl-7-((4-nitrophenyl)ethynyl)-9H-fluoren-2-yl)ethan-1-one
• CAS: 1380049-19-3
• 化学式: C₅₅H₇₉NO₃
• 分子量: 802.237
• InChiKey: XSUPBDDDFIYADQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.21
• 重原子数：
  59.0
• 可旋转键数：
  32.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  60.21
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-(9,9-dihexadecyl-7-((4-nitrophenyl)ethynyl)-9H-fluoren-2-yl)ethan-1-one 、 8-胺基-7-醛基喹啉 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 以60%的产率得到2-(7-(4-nitrophenylethynyl)-9,9-dihexadecyl-fluoren-2-yl)-1,10-phenanthroline
  参考文献：
  名称：

  Synthesis and photophysics of platinum(II) complexes bearing 2-(7-(4-R-phenylethynyl)-9,9-dihexadecyl-fluoren-2-yl)-1,10-phenanthroline ligand

  摘要：

  A series of platinum(II) complexes bearing 2-(7-(4-R-phenylethynyl)-9,9-dihexadecyl-fluoren-2-yl)-1,10-phenanthroline ligand were synthesized and characterized. Their photophysical properties were systematically investigated by UV-Vis absorption, emission, and transient absorption spectroscopy. All complexes exhibit (1)pi,pi* absorption bands below 410 nm and charge transfer transitions at 415-550 nm in CH2Cl2. They all emit at ca. 624 nm with vibronic structures. Both UV-Vis absorption and emission spectra show negative solvatochromic effect. All complexes exhibit broad and moderately strong triplet transient absorption from the near-UV to the near-IR spectral region. Reverse saturable absorption of these complexes in CH2Cl2 for ns laser pulses at 532 nm was demonstrated. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.03.033
• 作为产物：
  描述：

  芴 在 aluminum (III) chloride 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 硫酸 、 碘 、 四丁基碘化铵 、 溶剂黄146 、 高碘酸 、 三乙胺 、 三苯基膦 、 sodium hydroxide 作用下， 以 二氯甲烷 、 水 、 二甲基亚砜 为溶剂， 反应 64.0h， 生成 1-(9,9-dihexadecyl-7-((4-nitrophenyl)ethynyl)-9H-fluoren-2-yl)ethan-1-one
  参考文献：
  名称：

  Synthesis and photophysics of platinum(II) complexes bearing 2-(7-(4-R-phenylethynyl)-9,9-dihexadecyl-fluoren-2-yl)-1,10-phenanthroline ligand

  摘要：

  A series of platinum(II) complexes bearing 2-(7-(4-R-phenylethynyl)-9,9-dihexadecyl-fluoren-2-yl)-1,10-phenanthroline ligand were synthesized and characterized. Their photophysical properties were systematically investigated by UV-Vis absorption, emission, and transient absorption spectroscopy. All complexes exhibit (1)pi,pi* absorption bands below 410 nm and charge transfer transitions at 415-550 nm in CH2Cl2. They all emit at ca. 624 nm with vibronic structures. Both UV-Vis absorption and emission spectra show negative solvatochromic effect. All complexes exhibit broad and moderately strong triplet transient absorption from the near-UV to the near-IR spectral region. Reverse saturable absorption of these complexes in CH2Cl2 for ns laser pulses at 532 nm was demonstrated. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.03.033