Cas no 100097-82-3 (Phenol, 2-(1-phenyl-4,7-phenanthrolin-3-yl)-)
100097-82-3 structure
Product Name:Phenol, 2-(1-phenyl-4,7-phenanthrolin-3-yl)-
CAS No:100097-82-3
MF:C24H16N2O
MW:348.396645545959
CID:1124884
PubChem ID:1912496
Update Time:2025-04-20
Phenol, 2-(1-phenyl-4,7-phenanthrolin-3-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-(1-phenyl-4,7-phenanthrolin-3-yl)-
- 2-(1-phenyl-4,7-phenanthrolin-3-yl)phenol
- STL328396
- AKOS022140317
- 100097-82-3
-
- Inchi： 1S/C24H16N2O/c27-23-11-5-4-9-17(23)22-15-19(16-7-2-1-3-8-16)24-18-10-6-14-25-20(18)12-13-21(24)26-22/h1-15,27H
- InChI Key： FXYCLFXFYHTFTR-UHFFFAOYSA-N
- SMILES： OC1C=CC=CC=1C1=CC(C2C=CC=CC=2)=C2C(C=CC3=C2C=CC=N3)=N1
Computed Properties
- Exact Mass: 348.12638
- Monoisotopic Mass: 348.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 27
- Rotatable Bond Count: 2
- Complexity: 491
- 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: 5.4
- Topological Polar Surface Area: 46?2
Experimental Properties
- PSA: 46.01
Phenol, 2-(1-phenyl-4,7-phenanthrolin-3-yl)- Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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