10,15,24,29,38-Pentatert-butylheptadecacyclo[42.6.6.02,43.03,8.04,41.05,34.06,19.07,12.013,18.017,22.020,33.021,26.027,32.031,36.035,40.045,50.051,56]hexapentaconta-2(43),3,5(34),6(19),7(12),8,10,13,15,17,20,22,24,26,28,30,32,35,37,39,41,45,47,49,51,53,55-heptacosaene | 1527472-01-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 10,15,24,29,38-Pentatert-butylheptadecacyclo[42.6.6.02,43.03,8.04,41.05,34.06,19.07,12.013,18.017,22.020,33.021,26.027,32.031,36.035,40.045,50.051,56]hexapentaconta-2(43),3,5(34),6(19),7(12),8,10,13,15,17,20,22,24,26,28,30,32,35,37,39,41,45,47,49,51,53,55-heptacosaene
• 英文别名: 10,15,24,29,38-pentatert-butylheptadecacyclo[42.6.6.02,43.03,8.04,41.05,34.06,19.07,12.013,18.017,22.020,33.021,26.027,32.031,36.035,40.045,50.051,56]hexapentaconta-2(43),3,5(34),6(19),7(12),8,10,13,15,17,20,22,24,26,28,30,32,35,37,39,41,45,47,49,51,53,55-heptacosaene
• CAS: 1527472-01-0
• 化学式: C₇₆H₆₆
• 分子量: 979.36
• InChiKey: FOLCGVYAONKHMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  23.3
• 重原子数：
  76
• 可旋转键数：
  5
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.29
• 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：

  在 iron(III) chloride 作用下， 以 硝基甲烷 、 二氯甲烷 为溶剂， 反应 2.0h， 以77.6%的产率得到10,15,24,29,38-Pentatert-butylheptadecacyclo[42.6.6.02,43.03,8.04,41.05,34.06,19.07,12.013,18.017,22.020,33.021,26.027,32.031,36.035,40.045,50.051,56]hexapentaconta-2(43),3,5(34),6(19),7(12),8,10,13,15,17,20,22,24,26,28,30,32,35,37,39,41,45,47,49,51,53,55-heptacosaene
  参考文献：
  名称：

  Synthesis and structures of Hexa-peri-hexabenzocoronene-based triptycenes

  摘要：

  A series of Hexa-peri-hexabenzocoronene-based triptycenes bearing mono-, di-, or tri-HBC moieties were synthesized from iodotriptycenes. Their structures were determined by NMR, MS spectra, and X-ray analysis. The planar HBC moieties displayed strong deshielding effect to triptycene scaffold, resulting in significant downfield chemical shift of the two methenyl protons. Moreover, the HBC units are well separated in the triptycene scaffold, without quenching the fluorescent properties of each HBC unit. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.11.085

文献信息

• Synthesis and structures of Hexa-peri-hexabenzocoronene-based triptycenes
  作者：Peng-Cheng Zhu、Ying Liu、Lian-Hui Peng、Chun Zhang

  DOI：10.1016/j.tetlet.2013.11.085

  日期：2014.1

  A series of Hexa-peri-hexabenzocoronene-based triptycenes bearing mono-, di-, or tri-HBC moieties were synthesized from iodotriptycenes. Their structures were determined by NMR, MS spectra, and X-ray analysis. The planar HBC moieties displayed strong deshielding effect to triptycene scaffold, resulting in significant downfield chemical shift of the two methenyl protons. Moreover, the HBC units are well separated in the triptycene scaffold, without quenching the fluorescent properties of each HBC unit. (C) 2013 Elsevier Ltd. All rights reserved.