Cas no 502622-86-8 (Benzonitrile, 4-[2,2':6',2''-terpyridin]-4'-yl-)
![Benzonitrile, 4-[2,2':6',2''-terpyridin]-4'-yl- structure](https://ossimg.kuujia.com/scimg/503000/502622-86-8x500.png)
502622-86-8 structure
Product Name:Benzonitrile, 4-[2,2':6',2''-terpyridin]-4'-yl-
CAS No:502622-86-8
MF:C22H14N4
MW:334.37336397171
CID:1567199
PubChem ID:10925672
Update Time:2025-04-21
Benzonitrile, 4-[2,2':6',2''-terpyridin]-4'-yl- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-[2,2':6',2''-terpyridin]-4'-yl-
- DTXSID201259115
- 4-[2,2a(2):6a(2),2a(2)a(2)-Terpyridin]-4a(2)-ylbenzonitrile
- 502622-86-8
-
- Inchi： 1S/C22H14N4/c23-15-16-7-9-17(10-8-16)18-13-21(19-5-1-3-11-24-19)26-22(14-18)20-6-2-4-12-25-20/h1-14H
- InChI Key： RLSYALQFASMBME-UHFFFAOYSA-N
- SMILES： N1C(C2C=CC=CN=2)=CC(=CC=1C1C=CC=CN=1)C1C=CC(C#N)=CC=1
Computed Properties
- Exact Mass: 334.12202
- Monoisotopic Mass: 334.121846464g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 3
- Complexity: 464
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 62.5?2
Experimental Properties
- PSA: 62.46
Benzonitrile, 4-[2,2':6',2''-terpyridin]-4'-yl- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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