Cas no 15441-15-3 (2-Pentene-1,5-dione,3-benzoyl-1,5-diphenyl-)
15441-15-3 structure
Product Name:2-Pentene-1,5-dione,3-benzoyl-1,5-diphenyl-
CAS No:15441-15-3
MF:C24H18O3
MW:354.397926807404
CID:222760
PubChem ID:13265581
Update Time:2025-04-19
2-Pentene-1,5-dione,3-benzoyl-1,5-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentene-1,5-dione,3-benzoyl-1,5-diphenyl-
- 3-benzoyl-1,5-diphenylpent-2-ene-1,5-dione
- 1,2,3-Tribenzoylpropen
- 1,2,3-Tribenzoyl-propen
- 1,4-Butanedione, 1,4-diphenyl-2-(phenylthio)-
- 1,4-Diphenyl-2-phenylthio-1,4-butandion
- 3-Benzoyl-1,2-diphenyl-4-thiabutanon
- 3-Benzoyl-1,5-diphenyl-pent-2-en-1,5-dion
- 3-benzoyl-1,5-diphenyl-pent-2-ene-1,5-dione
- 3-Benzoyl-1.5-diphenyl-2-penten-1.5-dion
- AGN-PC-00M1G1
- CTK1H5232
- 15441-15-3
- NSC139183
- NSC-139183
-
- Inchi： 1S/C24H18O3/c25-22(18-10-4-1-5-11-18)16-21(24(27)20-14-8-3-9-15-20)17-23(26)19-12-6-2-7-13-19/h1-16H,17H2/b21-16-
- InChI Key： BYFLKSLHCIJYNC-PGMHBOJBSA-N
- SMILES： O=C(C1C=CC=CC=1)C/C(=C/C(C1C=CC=CC=1)=O)/C(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 354.12564
- Monoisotopic Mass: 354.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 27
- Rotatable Bond Count: 7
- Complexity: 556
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 51.2A^2
- XLogP3: 4.5
Experimental Properties
- Density: 1.184
- Boiling Point: 557.2°C at 760 mmHg
- Flash Point: 239.8°C
- Refractive Index: 1.616
- PSA: 51.21
- LogP: 4.95160
2-Pentene-1,5-dione,3-benzoyl-1,5-diphenyl- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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