7-[4-[5-[5-[5-[5-[3-Bromo-5-[4-hexyl-5-[5-[5-[3-hexyl-5-[4-(18-nonadecan-10-yl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]phenyl]-18-nonadecan-10-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone | 1182347-25-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 7-[4-[5-[5-[5-[5-[3-Bromo-5-[4-hexyl-5-[5-[5-[3-hexyl-5-[4-(18-nonadecan-10-yl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]phenyl]-18-nonadecan-10-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
• CAS: 1182347-25-6
• 化学式: C₁₆₀H₁₆₉BrN₄O₈S₈
• 分子量: 2612.56
• InChiKey: BUCKLBSAUGEUQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  53.6
• 重原子数：
  181
• 可旋转键数：
  66
• 环数：
  25.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  375
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  3,3'''-(dimethylcyclohexyl-[2,2':5',2'':5'',2'''-quarterthiophene]-5,5'''-diyl)bis(tributylstannane) 、 7-[4-[5-[5-[5-[5-[3-Bromo-5-[4-hexyl-5-[5-[5-[3-hexyl-5-[4-(18-nonadecan-10-yl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]phenyl]-18-nonadecan-10-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone 在 四(三苯基膦)钯 作用下， 以 甲苯 为溶剂， 反应 15.0h， 以45%的产率得到7-[4-[5-[5-[5-[5-[3-[5-[5-[5-[5-[3,5-Bis[4-hexyl-5-[5-[5-[3-hexyl-5-[4-(18-nonadecan-10-yl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-5-[4-hexyl-5-[5-[5-[3-hexyl-5-[4-(18-nonadecan-10-yl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]phenyl]-18-nonadecan-10-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
  参考文献：
  名称：

  Dendritic oligothiophene bearing perylene bis(dicarboximide) groups as an active material for photovoltaic device

  摘要：

  合成了含有苝双（二酰亚胺）单元的树枝状寡噻吩，并对其电子特性和光电性能进行了研究。

  DOI：

  10.1039/b819008a
• 作为产物：
  描述：

  1,3-二溴苯 、 7-[4-[4-Hexyl-5-[5-[5-(3-hexyl-5-tributylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-18-nonadecan-10-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone 在 四(三苯基膦)钯 作用下， 以 甲苯 为溶剂， 反应 12.0h， 以78%的产率得到7-[4-[5-[5-[5-[5-[3-Bromo-5-[4-hexyl-5-[5-[5-[3-hexyl-5-[4-(18-nonadecan-10-yl-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]phenyl]-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]phenyl]-18-nonadecan-10-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
  参考文献：
  名称：

  BRANCHED COMPOUNDS, ORGANIC THIN FILMS MADE BY USING THE SAME, AND ORGANIC THIN FILM DEVICES

  摘要：

  一种分支化合物，包括一个核心部分，至少一个与核心部分结合的侧链部分和一个末端，在该化合物中，由下式（1）表示的一个重复单元或两个或更多重复单元在每个侧链部分中重复，条件是在与核心部分结合的重复单元中，T与核心部分结合，在两个或更多相邻的重复单元中，每个L与T结合，每个L由多个共轭形成单元连接在一起形成；每个L包括至少一个噻吩亚烯单元作为共轭形成单元；并且在L的末端（在未与T结合的侧链中的L的末端）存在的至少两个基团是受体基团。（在公式中，每个L代表可能具有取代基的二价有机基团，T代表可能具有取代基的三价有机基团。）

  公开号：

  EP2251335A1

文献信息

• BRANCHED COMPOUNDS, ORGANIC THIN FILMS MADE BY USING THE SAME, AND ORGANIC FILM DEVICES
  申请人：Ie Yutaka

  公开号：US20110046341A1

  公开（公告）日：2011-02-24

  A branched compound including a core part, at least one side chain part bonded to the core part, and an end, wherein one repeating unit or two or more repeating units expressed by the following formula (1) repeat in the or each side chain part, with the proviso that in a repeating unit bonded to the core part, T is bonded to the core part, and in two or more contiguous repeating units, each L is bonded to the T, each L is formed of a plurality of conjugation-forming units linked together; each L includes at least one thienylene unit as the conjugation-forming unit; and at least two of the groups existing at the ends of Ls (the ends of the L in sides which are not bonded to T) are acceptor groups. (In the formula, each L represents a divalent organic group which may have a substituent and the T represents a trivalent organic group which may have a substituent.)

  一种分支化合物，包括一个核心部分，至少一个连接到核心部分的侧链部分和一个末端，其中在每个侧链部分或一个重复单元或两个或多个重复单元由以下公式（1）表示，其中在连接到核心部分的重复单元中，T连接到核心部分，在两个或更多相邻的重复单元中，每个L连接到T，每个L由多个共轭形成单元连接而成；每个L包括至少一个噻吩基单元作为共轭形成单元；并且在L的末端（未连接到T的侧面的L的末端）存在至少两个受体基团。（在公式中，每个L表示可能具有取代基的二价有机基团，T表示可能具有取代基的三价有机基团。）