20,53-Bis[2,6-di(propan-2-yl)phenyl]-5,14,26,47-tetrathia-20,53-diazaoctadecacyclo[38.14.1.118,22.03,39.04,8.09,38.010,35.011,15.016,34.024,32.025,29.030,43.031,36.037,42.041,49.044,48.051,55.033,56]hexapentaconta-1(55),2,4(8),6,9,11(15),12,16,18(56),22,24,27,29,31(36),32,34,37(42),38,40,43,45,48,50-tricosaene-19,21,52,54-tetrone | 1393361-97-1

分子结构分类

有机化合物 - 苯类化合物 - 芘

中文名称

——

中文别名

——

英文名称

20,53-Bis[2,6-di(propan-2-yl)phenyl]-5,14,26,47-tetrathia-20,53-diazaoctadecacyclo[38.14.1.118,22.03,39.04,8.09,38.010,35.011,15.016,34.024,32.025,29.030,43.031,36.037,42.041,49.044,48.051,55.033,56]hexapentaconta-1(55),2,4(8),6,9,11(15),12,16,18(56),22,24,27,29,31(36),32,34,37(42),38,40,43,45,48,50-tricosaene-19,21,52,54-tetrone

英文别名

——

20,53-Bis[2,6-di(propan-2-yl)phenyl]-5,14,26,47-tetrathia-20,53-diazaoctadecacyclo[38.14.1.118,22.03,39.04,8.09,38.010,35.011,15.016,34.024,32.025,29.030,43.031,36.037,42.041,49.044,48.051,55.033,56]hexapentaconta-1(55),2,4(8),6,9,11(15),12,16,18(56),22,24,27,29,31(36),32,34,37(42),38,40,43,45,48,50-tricosaene-19,21,52,54-tetrone化学式

CAS

1393361-97-1

化学式

C₇₄H₄₆N₂O₄S₄

mdl

——

分子量

1155.45

InChiKey

WSQUOCMLHYHBBO-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

21.5
重原子数：

84
可旋转键数：

6
环数：

20.0
sp3杂化的碳原子比例：

0.16
拓扑面积：

188
氢给体数：

0
氢受体数：

8

反应信息

作为产物：

描述：

7,22-Bis[2,6-di(propan-2-yl)phenyl]-11,26,34,36-tetrathiophen-2-yl-7,22-diazadecacyclo[14.14.2.22,5.217,20.03,12.04,9.013,31.018,27.019,24.028,32]hexatriaconta-1(30),2(36),3(12),4(9),5(35),10,13(31),14,16(32),17,19,24,26,28,33-pentadecaene-6,8,21,23-tetrone 在 iron(III) chloride 作用下，以硝基甲烷、二氯甲烷为溶剂，反应 0.33h，以92%的产率得到20,53-Bis[2,6-di(propan-2-yl)phenyl]-5,14,26,47-tetrathia-20,53-diazaoctadecacyclo[38.14.1.118,22.03,39.04,8.09,38.010,35.011,15.016,34.024,32.025,29.030,43.031,36.037,42.041,49.044,48.051,55.033,56]hexapentaconta-1(55),2,4(8),6,9,11(15),12,16,18(56),22,24,27,29,31(36),32,34,37(42),38,40,43,45,48,50-tricosaene-19,21,52,54-tetrone

参考文献：

名称：

Core-extended rylene dyes via thiophene annulation

摘要：

在 Scholl 条件下，通过有效的 Stille 耦合和随后的环熔合，将噻吩直接锚定到亚茚染料的海湾区域，从而产生了具有有趣电光特性的核心扩展亚茚四羧酸二亚胺。

DOI：

10.1039/c2cc33529h

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