7,10,20,23,33,36,46,49-Octamethyl-2,7,10,15,20,23,28,33,36,41,46,49,53,54,55,56-hexadecazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,11,13,15,17,19(24),25,27(55),28,30,32(37),38,40,42(53),43,45(50),51-nonadecaene-8,9,21,22,34,35,47,48-octone | 1264550-25-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: 7,10,20,23,33,36,46,49-Octamethyl-2,7,10,15,20,23,28,33,36,41,46,49,53,54,55,56-hexadecazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,11,13,15,17,19(24),25,27(55),28,30,32(37),38,40,42(53),43,45(50),51-nonadecaene-8,9,21,22,34,35,47,48-octone
• 英文别名: 7,10,20,23,33,36,46,49-octamethyl-2,7,10,15,20,23,28,33,36,41,46,49,53,54,55,56-hexadecazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,11,13,15,17,19(24),25,27(55),28,30,32(37),38,40,42(53),43,45(50),51-nonadecaene-8,9,21,22,34,35,47,48-octone
• CAS: 1264550-25-5
• 化学式: C₄₈H₃₄N₁₆O₈
• 分子量: 962.9
• InChiKey: QVGDOSRSTZPKAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  72
• 可旋转键数：
  0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  271
• 氢给体数：
  2
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  1,4-Dimethyl-2,3-dioxoquinoxaline-6,7-dicarbonitrile 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 戊醇 为溶剂， 反应 9.0h， 以63%的产率得到7,10,20,23,33,36,46,49-Octamethyl-2,7,10,15,20,23,28,33,36,41,46,49,53,54,55,56-hexadecazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,11,13,15,17,19(24),25,27(55),28,30,32(37),38,40,42(53),43,45(50),51-nonadecaene-8,9,21,22,34,35,47,48-octone
  参考文献：
  名称：

  PHTHALOCYANINE COMPOUND, PREPARATION METHOD THEREFOR, AND COLORING COMPOSITION INCLUDING SAID PHTHALOCYANINE COMPOUND

  摘要：

  公开号：

  EP2465860B1

文献信息

• PHTHALOCYANINE COMPOUND AND PRODUCTION METHOD THEREFOR, AND COLORING COMPOSITION CONTAINING THE PHTHALOCYANINE COMPOUND
  申请人：Kondou Hitoshi

  公开号：US20120232194A1

  公开（公告）日：2012-09-13

  Provided is a phthalocyanine compound which is halogen-free and which has a green hue, excellent resistance to organic solvents and acids, and high chroma. Also provided are a metal-free phthalocyanine compound or a metal phthalocyanine compound represented by specified general formula (1-1) or (1-2) and having a N,N′-disubstituted imidazolone structure or piperazinedione structure introduced therein, and a coloring composition including the compound and a synthetic resin. The phthalocyanine compound of the present invention exhibits a clear green color and is halogen-free, and is thus useful as a clear green pigment for coloring materials such as a coating material, plastic, a printing ink, rubber, leather, textile printing, a color filter, a jet ink, a heat transfer ink, etc.
• US8809427B2
  申请人：——

  公开号：US8809427B2

  公开（公告）日：2014-08-19
• PHTHALOCYANINE COMPOUND, PREPARATION METHOD THEREFOR, AND COLORING COMPOSITION INCLUDING SAID PHTHALOCYANINE COMPOUND
  申请人：DIC Corporation

  公开号：EP2465860B1

  公开（公告）日：2014-03-26