2-(4-(3-(4-iodophenyl)adamantan-1-yl)phenyl)-9-(tridecan-7-yl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone | 940894-18-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 2-(4-(3-(4-iodophenyl)adamantan-1-yl)phenyl)-9-(tridecan-7-yl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone
• CAS: 940894-18-8
• 化学式: C₅₉H₅₇IN₂O₄
• 分子量: 985.017
• InChiKey: KYBFFMLRSWZFQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.84
• 重原子数：
  66.0
• 可旋转键数：
  14.0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  74.76
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-(4-(3-(4-iodophenyl)adamantan-1-yl)phenyl)-9-(tridecan-7-yl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone 、 在 四(三苯基膦)钯 sodium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以75%的产率得到
  参考文献：
  名称：

  Photochromism of Diarylethene Single Molecules in Polymer Matrices

  摘要：

  Robust fluorescent photoswitching molecules, having perylene bisimide as the fluorescent unit and diarylethene as the switching unit, were prepared, and their photochromic reactions were measured at the single-molecule level in various polymer matrices. The histograms of the fluorescent on and off times were found to deviate from normal exponential distribution and showed a peak when the molecules are embedded in rigid polymer matrices, such as Zeonex or poly(methyl methacrylate) (PMMA). In soft polymer matrices, such as poly(n-buthyl methacrylate) (PnBMA), exponential distribution was observed for the on and off times. The abnormal distribution suggests that the quantum yields of the photoreactions are not constant and the molecules undergo the reactions after absorbing a certain number of photons. A multilocal minima model was proposed to explain the environmental effect.

  DOI：

  10.1021/ja069131b
• 作为产物：
  描述：

  1-苯基金刚烷 在 硫酸 、 bentonite 喹啉 、 zinc diacetate 、 碘 、 硝酸 、 三氯化铁 、 溶剂黄146 、 高碘酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 38.0h， 生成 2-(4-(3-(4-iodophenyl)adamantan-1-yl)phenyl)-9-(tridecan-7-yl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone
  参考文献：
  名称：

  Photochromism of Diarylethene Single Molecules in Polymer Matrices

  摘要：

  Robust fluorescent photoswitching molecules, having perylene bisimide as the fluorescent unit and diarylethene as the switching unit, were prepared, and their photochromic reactions were measured at the single-molecule level in various polymer matrices. The histograms of the fluorescent on and off times were found to deviate from normal exponential distribution and showed a peak when the molecules are embedded in rigid polymer matrices, such as Zeonex or poly(methyl methacrylate) (PMMA). In soft polymer matrices, such as poly(n-buthyl methacrylate) (PnBMA), exponential distribution was observed for the on and off times. The abnormal distribution suggests that the quantum yields of the photoreactions are not constant and the molecules undergo the reactions after absorbing a certain number of photons. A multilocal minima model was proposed to explain the environmental effect.

  DOI：

  10.1021/ja069131b