5,11,14,20,28,34,37,43,50,56,59,65-Dodecazaheptadecacyclo[22.22.22.02,23.04,21.06,19.07,12.013,18.025,46.027,44.029,42.030,35.036,41.047,68.049,66.051,64.052,57.058,63]octahexaconta-2,4(21),5,7(12),8,10,13(18),14,16,19,22,25,27(44),28,30(35),31,33,36(41),37,39,42,45,47,49(66),50,52(57),53,55,58(63),59,61,64,67-tritriacontaene | 1334701-34-6

分子结构分类

有机化合物 - 有机杂环化合物 - 菲咯啉

中文名称

——

中文别名

——

英文名称

5,11,14,20,28,34,37,43,50,56,59,65-Dodecazaheptadecacyclo[22.22.22.02,23.04,21.06,19.07,12.013,18.025,46.027,44.029,42.030,35.036,41.047,68.049,66.051,64.052,57.058,63]octahexaconta-2,4(21),5,7(12),8,10,13(18),14,16,19,22,25,27(44),28,30(35),31,33,36(41),37,39,42,45,47,49(66),50,52(57),53,55,58(63),59,61,64,67-tritriacontaene

英文别名

5,11,14,20,28,34,37,43,50,56,59,65-dodecazaheptadecacyclo[22.22.22.02,23.04,21.06,19.07,12.013,18.025,46.027,44.029,42.030,35.036,41.047,68.049,66.051,64.052,57.058,63]octahexaconta-2,4(21),5,7(12),8,10,13(18),14,16,19,22,25,27(44),28,30(35),31,33,36(41),37,39,42,45,47,49(66),50,52(57),53,55,58(63),59,61,64,67-tritriacontaene

CAS

1334701-34-6

化学式

C₅₆H₂₆N₁₂

mdl

——

分子量

866.903

InChiKey

NEFXOUVBEACXQJ-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

5.6
重原子数：

68
可旋转键数：

0
环数：

18.0
sp3杂化的碳原子比例：

0.04
拓扑面积：

155
氢给体数：

0
氢受体数：

12

反应信息

作为产物：

描述：

1,10-邻二氮杂菲-5,6-二酮、 2,3,6,7,14,15-六氨基三蝶烯以乙醇为溶剂，反应 18.0h，以54%的产率得到5,11,14,20,28,34,37,43,50,56,59,65-Dodecazaheptadecacyclo[22.22.22.02,23.04,21.06,19.07,12.013,18.025,46.027,44.029,42.030,35.036,41.047,68.049,66.051,64.052,57.058,63]octahexaconta-2,4(21),5,7(12),8,10,13(18),14,16,19,22,25,27(44),28,30(35),31,33,36(41),37,39,42,45,47,49(66),50,52(57),53,55,58(63),59,61,64,67-tritriacontaene

参考文献：

名称：

Molecular Scaffolding of Prussian Blue Analogues Using a Phenanthroline-Extended Triptycene Ligand

摘要：

Shape-persistent ligands with triptycene groups are promising candidates for the development of porous metal-organic frameworks with functional surface area. In this work, a series of phenanthroline-extended triptycene compounds was synthesized and used as structure-directing ligands for the fabrication of a triptycene-scaffolded Prussian blue analogue. The ligands were reacted with K(3)[Fe(CN)(6)] and CuCl(2) under hydrothermal conditions to afford two new clathrates: a coordination compound of (triptycenyl phenanthroline) copper(I) and an infinite one-dimensional zigzag coordination polymer of copper cyanide scaffolded by phenanthroline-extended triptycenes. These structures illustrate the potential for the triptycene-functionalized ligands to provide access to materials with interesting architectures.

DOI：

10.1021/cg200788f

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