Cas no 23617-53-0 (Quinolinium,1-ethyl-6-[(1-ethylpyridinium-4-yl)amino]-2-[2-[4-[(1-ethylpyridinium-4-yl)amino]phenyl]ethenyl]-,iodide (1:3))
![Quinolinium,1-ethyl-6-[(1-ethylpyridinium-4-yl)amino]-2-[2-[4-[(1-ethylpyridinium-4-yl)amino]phenyl]ethenyl]-,iodide (1:3) structure](https://ossimg.kuujia.com/scimg/24000/23617-53-0x500.png)
23617-53-0 structure
Product Name:Quinolinium,1-ethyl-6-[(1-ethylpyridinium-4-yl)amino]-2-[2-[4-[(1-ethylpyridinium-4-yl)amino]phenyl]ethenyl]-,iodide (1:3)
CAS No:23617-53-0
MF:C33H36IN5
MW:629.576919555664
CID:277119
PubChem ID:54598410
Update Time:2025-04-19
Quinolinium,1-ethyl-6-[(1-ethylpyridinium-4-yl)amino]-2-[2-[4-[(1-ethylpyridinium-4-yl)amino]phenyl]ethenyl]-,iodide (1:3) Chemical and Physical Properties
Names and Identifiers
-
- Quinolinium,1-ethyl-6-[(1-ethylpyridinium-4-yl)amino]-2-[2-[4-[(1-ethylpyridinium-4-yl)amino]phenyl]ethenyl]-,iodide (1:3)
- 1-ethyl-N-(1-ethylpyridin-1-ium-4-yl)-2-[(E)-2-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]ethenyl]quinolin-1-ium-6-amine,iodide
- NSC108828
- NSC-108828
- 1-ethyl-N-(1-ethylpyridin-1-ium-4-yl)-2-[(E)-2-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]ethenyl]quinolin-1-ium-6-amine;iodide
- 23617-53-0
- DTXSID90712463
-
- Inchi： 1S/C33H34N5.HI/c1-4-36-21-17-29(18-22-36)34-28-11-7-26(8-12-28)9-14-32-15-10-27-25-31(13-16-33(27)38(32)6-3)35-30-19-23-37(5-2)24-20-30;/h7-25H,4-6H2,1-3H3;1H/q+1;/p+1
- InChI Key： GFHFTFDRZYSKGE-UHFFFAOYSA-O
- SMILES： [I-].[N+]1(CC)C(/C=C/C2C=CC(=CC=2)NC2C=C[N+](=CC=2)CC)=CC=C2C=C(C=CC=12)NC1C=C[N+](CC)=CC=1
Computed Properties
- Exact Mass: 629.20200
- Monoisotopic Mass: 629.20154g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 39
- Rotatable Bond Count: 9
- Complexity: 702
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 35.7?2
Experimental Properties
- PSA: 35.70000
- LogP: 3.56960
Quinolinium,1-ethyl-6-[(1-ethylpyridinium-4-yl)amino]-2-[2-[4-[(1-ethylpyridinium-4-yl)amino]phenyl]ethenyl]-,iodide (1:3) Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
23617-53-0 (Quinolinium,1-ethyl-6-[(1-ethylpyridinium-4-yl)amino]-2-[2-[4-[(1-ethylpyridinium-4-yl)amino]phenyl]ethenyl]-,iodide (1:3)) Related Products
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