281-54-9 ((Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene)

快速询单

结构式：

Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaeneMOL文件

CAS号：

281-54-9

英文名称：

Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene

分子式：

C₂₈H₂₄

分子量：

360.490167617798

Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene(281-54-9)名称与标识符

名称

英文别名：

Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene;Calix[4]arene;Q27122465;GQPLZGRPYWLBPW-UHFFFAOYSA-N;Calix (4) arene;281-54-9;Pentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene;pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene;DTXSID80471552;CHEBI:51202;

标识符

InChIKey：

GQPLZGRPYWLBPW-UHFFFAOYSA-N

Inchi：

1S/C28H24/c1-5-21-13-22(6-1)18-24-8-3-10-26(15-24)20-28-12-4-11-27(16-28)19-25-9-2-7-23(14-25)17-21/h1-16H,17-20H2

SMILES：

C1C2C=CC=C(C=2)CC2C=CC=C(C=2)CC2C=CC=C(C=2)CC2C=CC=C1C=2

Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene(281-54-9)物化性质

实验特性

PSA : 0

计算特性

精确分子量 : 360.18792
氢键供体数量 : 0
氢键受体数量 : 0
可旋转化学键数量 : 0
同位素质量 : 360.187800766g/mol
重原子数量 : 28
复杂度 : 360
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 7.7
拓扑分子极性表面积 : 0Å²

Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene(281-54-9)相关文献

1. Anion carrier formation by calix[4]arene-bis-hydroxymethylphosphonic acid in bilayer membranes
Oleg Ya. Shatursky,Ludmila A. Kasatkina,Roman V. Rodik,Sergiy O. Cherenok,Alexander A. Shkrabak,Tatiana O. Veklich,Tatiana A. Borisova,Sergyi O. Kosterin,Vitaly I. Kalchenko Org. Biomol. Chem. 2014 12 9811
2. Recent developments of thiacalixarene based molecular motifs
Rajesh Kumar,Yeon Ok Lee,Vandana Bhalla,Manoj Kumar,Jong Seung Kim Chem. Soc. Rev. 2014 43 4824
3. Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles
Sung Kuk Kim,Vincent M. Lynch,Benjamin P. Hay,Jong Seung Kim,Jonathan L. Sessler Chem. Sci. 2015 6 1404
4. Strapped calix[4]pyrroles: from syntheses to applications
Sangshan Peng,Qing He,Gabriela I. Vargas-Zú?iga,Lei Qin,Inhong Hwang,Sung Kuk Kim,Nam Jung Heo,Chang-Hee Lee,Ranjan Dutta,Jonathan L. Sessler Chem. Soc. Rev. 2020 49 865
5. Strapped calix[4]pyrroles: from syntheses to applications
Sangshan Peng,Qing He,Gabriela I. Vargas-Zú?iga,Lei Qin,Inhong Hwang,Sung Kuk Kim,Nam Jung Heo,Chang-Hee Lee,Ranjan Dutta,Jonathan L. Sessler Chem. Soc. Rev. 2020 49 865
6. NMR and X-ray crystallographic studies of unsymmetrical 25,26;27,28-dibridged para-tert-butyl calix[4]arene bisphosphites with a large “through-space” P–P coupling
Pathik Maji,Setharampattu S. Krishnamurthy,Munirathinam Nethaji New J. Chem. 2010 34 1478
7. Hydrogen bonded supramolecular capsules with functionalized interiors: the controlled orientation of included guests
Louis Adriaenssens,Pablo Ballester Chem. Soc. Rev. 2013 42 3261
8. Recent progress to construct calixarene-based polymers using covalent bonds: synthesis and applications
Reza Zadmard,Fahimeh Hokmabadi,Mohammad Reza Jalali,Ali Akbarzadeh RSC Adv. 2020 10 32690
9. Synthesis and recognition properties of calix[4]arene semitubes as ditopic hosts for N-alkylpyridinium ion pairs
Francesco Vita,Michela Vorti,Guido Orlandini,Valeria Zanichelli,Chiara Massera,Franco Ugozzoli,Arturo Arduini,Andrea Secchi CrystEngComm 2016 18 5017
10. Design, synthesis and antibacterial evaluation of a polycationic calix[4]arene derivative alone and in combination with antibiotics
G. M. L. Consoli,G. Granata,R. Picciotto,A. R. Blanco,C. Geraci,A. Marino,A. Nostro Med. Chem. Commun. 2018 9 160

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