4''',5'-didodecyl-2,2'''',5,5''''-tetraphenyl-3,3'''',4,4''''-tetra(4-dodecylphenyl)-1,1':2',1'':4'',1''':2''',1''''-quinquephenyl | 1418104-29-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 4''',5'-didodecyl-2,2'''',5,5''''-tetraphenyl-3,3'''',4,4''''-tetra(4-dodecylphenyl)-1,1':2',1'':4'',1''':2''',1''''-quinquephenyl
• CAS: 1418104-29-6
• 化学式: C₁₅₀H₁₉₈
• 分子量: 2001.22
• InChiKey: RIFYZLSBLGVLEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  48.47
• 重原子数：
  150.0
• 可旋转键数：
  78.0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  4''',5'-didodecyl-2,2'''',5,5''''-tetraphenyl-3,3'''',4,4''''-tetra(4-dodecylphenyl)-1,1':2',1'':4'',1''':2''',1''''-quinquephenyl 在 iron(III) chloride 作用下， 以 硝基甲烷 、 二氯甲烷 为溶剂， 反应 26.0h， 以93%的产率得到
  参考文献：
  名称：

  Structurally Defined Graphene Nanoribbons with High Lateral Extension

  摘要：

  Oxidative cyclodehydrogenation of laterally extended polyphenylene precursor allowed bottom-up synthesis of structurally defined graphene nanoribbons (GNRs) with unprecedented width. The efficiency.of the cyclodehydrogenation was validated by means of MALDI-TOF MS, FT-IR, Raman, and UV-vis absorption spectroscopies as well as investigation of a representative model system. The produced GNRs demonstrated broad absorption extended to near-infrared region with the optical band gap of as low as 1.12 eV.

  DOI：

  10.1021/ja307697j
• 作为产物：
  描述：

  4,4''-didodecyl-2,2''-diethynyl-1,1':4',1''-terphenyl 、 3,4-bis(4-dodecylphenyl)-2,5-diphenylcyclopentadienone 以 邻二甲苯 为溶剂， 反应 24.0h， 以81%的产率得到4''',5'-didodecyl-2,2'''',5,5''''-tetraphenyl-3,3'''',4,4''''-tetra(4-dodecylphenyl)-1,1':2',1'':4'',1''':2''',1''''-quinquephenyl
  参考文献：
  名称：

  Structurally Defined Graphene Nanoribbons with High Lateral Extension

  摘要：

  Oxidative cyclodehydrogenation of laterally extended polyphenylene precursor allowed bottom-up synthesis of structurally defined graphene nanoribbons (GNRs) with unprecedented width. The efficiency.of the cyclodehydrogenation was validated by means of MALDI-TOF MS, FT-IR, Raman, and UV-vis absorption spectroscopies as well as investigation of a representative model system. The produced GNRs demonstrated broad absorption extended to near-infrared region with the optical band gap of as low as 1.12 eV.

  DOI：

  10.1021/ja307697j