Cas no 14120-94-6 (7,7'-[pyridine-2,5-diylbis(carbonylimino)]bis(1-butylquinolinium) bis(4-methylbenzenesulfonate))
![7,7'-[pyridine-2,5-diylbis(carbonylimino)]bis(1-butylquinolinium) bis(4-methylbenzenesulfonate) structure](https://ossimg.kuujia.com/scimg/14500/14120-94-6x500.png)
14120-94-6 structure
Product Name:7,7'-[pyridine-2,5-diylbis(carbonylimino)]bis(1-butylquinolinium) bis(4-methylbenzenesulfonate)
CAS No:14120-94-6
MF:C47H49N5O8S2
MW:876.050669431686
CID:1301724
PubChem ID:203289
Update Time:2025-04-20
7,7'-[pyridine-2,5-diylbis(carbonylimino)]bis(1-butylquinolinium) bis(4-methylbenzenesulfonate) Chemical and Physical Properties
Names and Identifiers
-
- 7,7'-[pyridine-2,5-diylbis(carbonylimino)]bis(1-butylquinolinium) bis(4-methylbenzenesulfonate)
- 2-N,5-N-bis(1-butylquinolin-1-ium-7-yl)pyridine-2,5-dicarboxamide,4-methylbenzenesulfonate
- Quinolinium, 6,6'-(pyridin-2,5-diylbis(carbonylimino))bis(1-butyl-, ditosylate
- 14120-94-6
- Quinolinium, 6,6'-(2,5-pyridinediylbis(carbonylimino))bis(1-butyl-, di-p-toluenesulfonate
- 6,6'-(Pyridin-2,5-diylbis(carbonylimino))bis(1-butylquinolinium) ditosylate
- DTXSID90161598
-
- Inchi： 1S/C33H33N5O2.2C7H8O3S/c1-3-5-17-37-19-7-9-24-11-14-27(21-30(24)37)35-32(39)26-13-16-29(34-23-26)33(40)36-28-15-12-25-10-8-20-38(18-6-4-2)31(25)22-28;2*1-6-2-4-7(5-3-6)11(8,9)10/h7-16,19-23H,3-6,17-18H2,1-2H3;2*2-5H,1H3,(H,8,9,10)
- InChI Key： FYZLDWSQCPBNPE-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)[O-].S(C1C=CC(C)=CC=1)(=O)(=O)[O-].O=C(C1=CN=C(C=C1)C(NC1C=CC2=CC=C[N+](=C2C=1)CCCC)=O)NC1C=CC2=CC=C[N+](=C2C=1)CCCC
Computed Properties
- Exact Mass: 875.30257
- Monoisotopic Mass: 875.30225589g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 62
- Rotatable Bond Count: 10
- Complexity: 1020
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 210?2
Experimental Properties
- PSA: 193.25
7,7'-[pyridine-2,5-diylbis(carbonylimino)]bis(1-butylquinolinium) bis(4-methylbenzenesulfonate) Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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