(2Z,9Z,16Z,23Z,30Z)-6,13,20,27-tetratert-butyl-34-[3-[12-[4-[(2Z,9Z,16Z,23Z,30Z)-13,20,27,34-tetratert-butyl-2,9,16,23,30-pentacyano-6-hexacyclo[30.3.1.14,8.111,15.118,22.125,29]tetraconta-1(35),2,4,6,8(40),9,11(39),12,14,16,18(38),19,21,23,25(37),26,28,30,32(36),33-icosaenyl]triazol-1-yl]dodecyl]-1,2-dihydrotriazol-5-yl]hexacyclo[30.3.1.14,8.111,15.118,22.125,29]tetraconta-1(35),2,4(40),5,7,9,11(39),12,14,16,18(38),19,21,23,25(37),26,28,30,32(36),33-icosaene-2,9,16,23,30-pentacarbonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (2Z,9Z,16Z,23Z,30Z)-6,13,20,27-tetratert-butyl-34-[3-[12-[4-[(2Z,9Z,16Z,23Z,30Z)-13,20,27,34-tetratert-butyl-2,9,16,23,30-pentacyano-6-hexacyclo[30.3.1.14,8.111,15.118,22.125,29]tetraconta-1(35),2,4,6,8(40),9,11(39),12,14,16,18(38),19,21,23,25(37),26,28,30,32(36),33-icosaenyl]triazol-1-yl]dodecyl]-1,2-dihydrotriazol-5-yl]hexacyclo[30.3.1.14,8.111,15.118,22.125,29]tetraconta-1(35),2,4(40),5,7,9,11(39),12,14,16,18(38),19,21,23,25(37),26,28,30,32(36),33-icosaene-2,9,16,23,30-pentacarbonitrile
• 化学式: C₁₃₈H₁₄₀N₁₆
• 分子量: 2022.7
• InChiKey: UQEDQBPKNFLUBK-CXOLAMIQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  36.4
• 重原子数：
  154
• 可旋转键数：
  23
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  296
• 氢给体数：
  2
• 氢受体数：
  15

文献信息

• [EN] POLY-CYANOSTILBENE MACROCYCLES<br/>[FR] MACROCYCLES DE POLY-CYANOSTILBÈNE
  申请人：UNIV INDIANA RES & TECH CORP

  公开号：WO2014127171A1

  公开（公告）日：2014-08-21

  The present disclosure concerns synthesis and anion binding features of polycyanostilbene macrocycles (structurally represented).