biphenyl-4,4'-dicarboxylic acid bis-{1-[6-methoxy-13,13-dimethyl-3-phenyl-3-(4-pyrrolidin-1-yl-phenyl)-3H,13H-indeno[2',3':3,4]naphtho[1,2-b]pyran-7-yl]-piperidin-4-yl}ester

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: biphenyl-4,4'-dicarboxylic acid bis-{1-[6-methoxy-13,13-dimethyl-3-phenyl-3-(4-pyrrolidin-1-yl-phenyl)-3H,13H-indeno[2',3':3,4]naphtho[1,2-b]pyran-7-yl]-piperidin-4-yl}ester
• 英文别名: [1-[10-Methoxy-21,21-dimethyl-5-phenyl-5-(4-pyrrolidin-1-ylphenyl)-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-11-yl]piperidin-4-yl] 4-[4-[1-[10-methoxy-21,21-dimethyl-5-phenyl-5-(4-pyrrolidin-1-ylphenyl)-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-11-yl]piperidin-4-yl]oxycarbonylphenyl]benzoate；[1-[10-methoxy-21,21-dimethyl-5-phenyl-5-(4-pyrrolidin-1-ylphenyl)-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-11-yl]piperidin-4-yl] 4-[4-[1-[10-methoxy-21,21-dimethyl-5-phenyl-5-(4-pyrrolidin-1-ylphenyl)-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-11-yl]piperidin-4-yl]oxycarbonylphenyl]benzoate
• 化学式: C₁₀₂H₉₄N₄O₈
• 分子量: 1503.89
• InChiKey: WMPMATMXLQCVQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  23.7
• 重原子数：
  114
• 可旋转键数：
  17
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  3-phenyl-3-(4-(pyrrolidin-1-yl)-phenyl)-13,13-dimethyl-6-methoxy-7-(4-hydroxypiperidin-1-yl)indeno[2',3':3,4]naphtho[1,2-b]pyran. 、 檀香(SANTALUMALBUM)提取物 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 36.0h， 生成 biphenyl-4,4'-dicarboxylic acid bis-{1-[6-methoxy-13,13-dimethyl-3-phenyl-3-(4-pyrrolidin-1-yl-phenyl)-3H,13H-indeno[2',3':3,4]naphtho[1,2-b]pyran-7-yl]-piperidin-4-yl}ester
  参考文献：
  名称：

  Photochromic compounds

  摘要：

  本文披露的各种非限定实施例通常涉及光致变色化合物，可以是热可逆或非热可逆的，并且由此制成的物品。其他非限定实施例涉及光致-二色化合物，可以是热可逆或非热可逆的，并且由此制成的物品。例如，一个非限定实施例提供了一种热可逆的、光致变色化合物，适用于至少具有第一状态和第二状态，其中该热可逆的、光致变色化合物在至少一个状态下的平均吸收比大于2.3，根据CELL METHOD确定。另一个非限定实施例提供了一种光致变色化合物，包括：(a)至少一种从吡喃、噁唑和富里德中选择的光致变色基团；以及(b)连接到至少一种光致变色基团的至少一种延长剂L，由以下公式表示：—[S1]c-[Q1-[S2]d]d′-[Q2-[S3]e]e′-[Q3-[S4]f]f′—S5—P，如本文所述。

  公开号：

  US20050004361A1

文献信息

• PHOTOCHROMIC COMPOUNDS
  申请人：Kumar Anil

  公开号：US20080045704A1

  公开（公告）日：2008-02-21

  Various non-limiting embodiments disclosed herein relate generally to photochromic compounds, which may be thermally reversible or non-thermally reversible, and articles made therefrom. Other non-limiting embodiments relate to photochromic-dichroic compounds, which may be thermally reversible or non-thermally reversible, and articles made therefrom. For example, one non-limiting embodiment provides a thermally reversible, photochromic compound adapted to have at least a first state and a second state, wherein the thermally reversible, photochromic compound has an average absorption ratio greater than 2.3 in at least one state as determined according to CELL METHOD. Another non-limiting embodiment provides a photochromic compound comprising: (a) at least one photochromic group chosen from a pyran, an oxazine, and a fulgide; and (b) at least one lengthening agent L attached to the at least one photochromic group and represented by the formula —[S 1 ] c -[Q 1 -[S 2 ] d ] d′ -[Q 2 -[S 3 ] e ] e′ -[Q 3 -[S 4 ] f ] f′ —S 5 —P, which is described herein.
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  公开号：US7342112B2

  公开（公告）日：2008-03-11
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