Cas no 129077-50-5 (2,2':6',2''-Terpyridine, 4'-(3-nitrophenyl)-)
129077-50-5 structure
Product Name:2,2':6',2''-Terpyridine, 4'-(3-nitrophenyl)-
CAS No:129077-50-5
MF:C21H14N4O2
MW:354.36146402359
CID:1223810
PubChem ID:12990785
Update Time:2025-04-20
2,2':6',2''-Terpyridine, 4'-(3-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2,2':6',2''-Terpyridine, 4'-(3-nitrophenyl)-
- 4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine
- SCHEMBL8755737
- DTXSID10514486
- 2~4~-(3-Nitrophenyl)-1~2~,2~2~:2~6~,3~2~-terpyridine
- 129077-50-5
-
- Inchi： 1S/C21H14N4O2/c26-25(27)17-7-5-6-15(12-17)16-13-20(18-8-1-3-10-22-18)24-21(14-16)19-9-2-4-11-23-19/h1-14H
- InChI Key： GLNZHKNBOZBSPS-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC=CC(=C1)C1C=C(C2C=CC=CN=2)N=C(C2C=CC=CN=2)C=1)=O
Computed Properties
- Exact Mass: 354.11182
- Monoisotopic Mass: 354.11167570g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 27
- Rotatable Bond Count: 3
- Complexity: 471
- 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: 3.6
- Topological Polar Surface Area: 84.5?2
Experimental Properties
- PSA: 81.81
2,2':6',2''-Terpyridine, 4'-(3-nitrophenyl)- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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