54-Ethyl-36,45-dioxa-10,23-dithia-3,30,54-triazanonacyclo[44.2.2.232,35.112,16.115,18.117,21.04,9.024,29.038,43]pentapentaconta-1(49),4,6,8,12(55),13,15,17,19,21(53),24,26,28,32(52),33,35(51),38,40,42,46(50),47-henicosaene-2,31-dione | 1164303-44-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 54-Ethyl-36,45-dioxa-10,23-dithia-3,30,54-triazanonacyclo[44.2.2.232,35.112,16.115,18.117,21.04,9.024,29.038,43]pentapentaconta-1(49),4,6,8,12(55),13,15,17,19,21(53),24,26,28,32(52),33,35(51),38,40,42,46(50),47-henicosaene-2,31-dione
• CAS: 1164303-44-9
• 化学式: C₅₀H₄₁N₃O₄S₂
• 分子量: 812.025
• InChiKey: HTBMQNGLWIKSGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  59
• 可旋转键数：
  1
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  132
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4,4'-((1,2-phenylenebis(methylene))bis(oxy))dibenzoyl chloride 、 2-[[6-[(2-Aminophenyl)sulfanylmethyl]-9-ethylcarbazol-3-yl]methylsulfanyl]aniline 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 12.0h， 以27%的产率得到54-Ethyl-36,45-dioxa-10,23-dithia-3,30,54-triazanonacyclo[44.2.2.232,35.112,16.115,18.117,21.04,9.024,29.038,43]pentapentaconta-1(49),4,6,8,12(55),13,15,17,19,21(53),24,26,28,32(52),33,35(51),38,40,42,46(50),47-henicosaene-2,31-dione
  参考文献：
  名称：

  Synthesis of novel carbazole based macrocyclic amides as potential antimicrobial agents

  摘要：

  A series of carbazole based macrocyclic diamides with thia and oxy linkages have been synthesized and the inhibitory activity of the cyclophane amides against human pathogenic bacteria and plant pathogenic fungi are documented. (S)-1,10-Bi-2-naphthol [(S)-BINOL] based chiral carbazolophane amide emerged as the most interesting compound in this series exhibiting excellent antibacterial and antifungal activities. (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.07.031

文献信息

• Synthesis of novel carbazole based macrocyclic amides as potential antimicrobial agents
  作者：Perumal Rajakumar、Karuppannan Sekar、Vellasamy Shanmugaiah、Narayanasamy Mathivanan

  DOI：10.1016/j.ejmech.2008.07.031

  日期：2009.7

  A series of carbazole based macrocyclic diamides with thia and oxy linkages have been synthesized and the inhibitory activity of the cyclophane amides against human pathogenic bacteria and plant pathogenic fungi are documented. (S)-1,10-Bi-2-naphthol [(S)-BINOL] based chiral carbazolophane amide emerged as the most interesting compound in this series exhibiting excellent antibacterial and antifungal activities. (C) 2008 Elsevier Masson SAS. All rights reserved.