pentadecacyclo[14.14.14.65,12.620,27.02,15.04,13.06,11.017,30.019,28.021,26.031,44.033,42.035,40.045,50.051,56]hexapentaconta-2(15),3,6,8,10,13,17(30),18,21,23,25,28,33,35,37,39,41,45,47,49,51,53,55-tricosaene-32,43-diol | 120742-37-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 并四苯
• 英文名称: pentadecacyclo[14.14.14.65,12.620,27.02,15.04,13.06,11.017,30.019,28.021,26.031,44.033,42.035,40.045,50.051,56]hexapentaconta-2(15),3,6,8,10,13,17(30),18,21,23,25,28,33,35,37,39,41,45,47,49,51,53,55-tricosaene-32,43-diol
• CAS: 120742-37-2
• 化学式: C₅₆H₃₈O₂
• 分子量: 742.917
• InChiKey: OEGUATOSDHHIMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.5
• 重原子数：
  58
• 可旋转键数：
  0
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  pentadecacyclo[14.14.14.65,12.620,27.02,15.04,13.06,11.017,30.019,28.021,26.031,44.033,42.035,40.045,50.051,56]hexapentaconta-2(15),3,6,8,10,13,17(30),18,21,23,25,28,33,35,37,39,41,45,47,49,51,53,55-tricosaene-32,43-diol 在 吡啶 、 三氯氧磷 作用下， 以 二氯甲烷 为溶剂， 反应 17.0h， 生成 heptiptycene
  参考文献：
  名称：

  Iptycene synthesis. A new method for attaching a 2,3-anthracene moiety to the 9,10-positions of another anthracene moiety. Exceptional conditions for a Lewis acid-catalyzed Diels-Alder reaction

  摘要：

  DOI：

  10.1021/jo00272a030
• 作为产物：
  描述：

  pentadecacyclo[14.14.14.65,12.620,27.02,15.04,13.06,11.017,30.019,28.021,26.031,44.033,42.035,40.045,50.051,56]hexapentaconta-2(15),3,6,8,10,13,17(30),18,21,23,25,28,33,35,37,39,41,45,47,49,51,53,55-tricosaene-32,43-dione 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 17.0h， 生成 pentadecacyclo[14.14.14.65,12.620,27.02,15.04,13.06,11.017,30.019,28.021,26.031,44.033,42.035,40.045,50.051,56]hexapentaconta-2(15),3,6,8,10,13,17(30),18,21,23,25,28,33,35,37,39,41,45,47,49,51,53,55-tricosaene-32,43-diol
  参考文献：
  名称：

  Iptycene synthesis. A new method for attaching a 2,3-anthracene moiety to the 9,10-positions of another anthracene moiety. Exceptional conditions for a Lewis acid-catalyzed Diels-Alder reaction

  摘要：

  DOI：

  10.1021/jo00272a030

文献信息

• CHEN, YONG-SHING;HART, HAROLD, J. ORG. CHEM., 54,(1989) N1, C. 2612-2615
  作者：CHEN, YONG-SHING、HART, HAROLD

  DOI：——

  日期：——