Cas no 653567-02-3 (Phenol, 4,4'-[2,2':6',2''-terpyridine]-4,4''-diylbis[3,5-dimethyl-)
![Phenol, 4,4'-[2,2':6',2''-terpyridine]-4,4''-diylbis[3,5-dimethyl- structure](https://ossimg.kuujia.com/scimg/654000/653567-02-3x500.png)
653567-02-3 structure
Product Name:Phenol, 4,4'-[2,2':6',2''-terpyridine]-4,4''-diylbis[3,5-dimethyl-
CAS No:653567-02-3
MF:C31H27N3O2
MW:473.564987421036
CID:400601
PubChem ID:136272586
Update Time:2025-04-19
Phenol, 4,4'-[2,2':6',2''-terpyridine]-4,4''-diylbis[3,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4,4'-[2,2':6',2''-terpyridine]-4,4''-diylbis[3,5-dimethyl-
- 4-[2-[6-[4-(2,6-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]pyridin-2-yl]-1H-pyridin-4-ylidene]-3,5-dimethylcyclohexa-2,5-dien-1-one
- 4-[2-[6-[4-(4-Hydroxy-2,6-dimethylphenyl)pyridin-2-yl]pyridin-2-yl]pyridin-4-yl]-3,5-dimethylphenol
- 4,4'-([1~2~,2~2~:2~6~,3~2~-Terpyridine]-1~4~,3~4~(1~1~H,3~1~H)-diylidene)bis(3,5-dimethylcyclohexa-2,5-dien-1-one)
- DTXSID60798870
- 653567-02-3
-
- Inchi： 1S/C31H27N3O2/c1-18-12-24(35)13-19(2)30(18)22-8-10-32-28(16-22)26-6-5-7-27(34-26)29-17-23(9-11-33-29)31-20(3)14-25(36)15-21(31)4/h5-17,35-36H,1-4H3
- InChI Key： HZTHWEIHZUFTGX-UHFFFAOYSA-N
- SMILES： OC1C=C(C)C(=C(C)C=1)C1C=CN=C(C2C=CC=C(C3C=C(C=CN=3)C3C(C)=CC(=CC=3C)O)N=2)C=1
Computed Properties
- Exact Mass: 473.21051
- Monoisotopic Mass: 473.21032711g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 36
- Rotatable Bond Count: 4
- Complexity: 625
- 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: 6.1
- Topological Polar Surface Area: 79.1?2
Experimental Properties
- PSA: 79.13
Phenol, 4,4'-[2,2':6',2''-terpyridine]-4,4''-diylbis[3,5-dimethyl- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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