| 1451208-45-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1451208-45-9
• 化学式: C₄₆H₃₈F₁₂O₁₆S₄
• 分子量: 1203.04
• InChiKey: DNULESVANQXZRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.31
• 重原子数：
  78.0
• 可旋转键数：
  22.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  226.08
• 氢给体数：
  0.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  、 tributyl(5-dodecylthiophen-2-yl)stannane 在 四(三苯基膦)钯 、 lithium chloride 作用下， 以 四氢呋喃 为溶剂， 反应 36.0h， 以73%的产率得到
  参考文献：
  名称：

  Fusion at the Non-K-Region of Pyrene: An Alternative Strategy To Extend the π-Conjugated Plane of Pyrene

  摘要：

  A large fused pyrene derivative TTTP was facilely developed through fusion at the non-K-region of pyrene, which represents the first example of extending such a pi-conjugated plane at its non-K-region. The investigation of its photophysical properties and other characterizations indicated that TTTP exhibited strong aggregation behaviors and self-assembled into highly ordered one-dimensional nanowires due to its large pi-conjugated plane.

  DOI：

  10.1021/ol401904n
• 作为产物：
  描述：

  三氟甲磺酸酐 、 Hexyl 4-[7-(4-hexoxycarbonyl-2,6-dihydroxyphenyl)pyren-2-yl]-3,5-dihydroxybenzoate 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 以74%的产率得到
  参考文献：
  名称：

  Fusion at the Non-K-Region of Pyrene: An Alternative Strategy To Extend the π-Conjugated Plane of Pyrene

  摘要：

  A large fused pyrene derivative TTTP was facilely developed through fusion at the non-K-region of pyrene, which represents the first example of extending such a pi-conjugated plane at its non-K-region. The investigation of its photophysical properties and other characterizations indicated that TTTP exhibited strong aggregation behaviors and self-assembled into highly ordered one-dimensional nanowires due to its large pi-conjugated plane.

  DOI：

  10.1021/ol401904n