Cas no 6290-84-2 (1,5-diphenyl-4-pentene-1,3-dione, Copper (ii) Deriv.)
6290-84-2 structure
Product Name:1,5-diphenyl-4-pentene-1,3-dione, Copper (ii) Deriv.
CAS No:6290-84-2
MF:C34H26CuO4
MW:562.113851070404
CID:958248
PubChem ID:6450843
Update Time:2025-04-19
1,5-diphenyl-4-pentene-1,3-dione, Copper (ii) Deriv. Chemical and Physical Properties
Names and Identifiers
-
- 1,5-diphenyl-4-pentene-1,3-dione, Copper (ii) Deriv.
- (1Z,4E)-1-Hydroxy-1,5-diphenyl-1,4-pentadien-3-one-
- copper; (1Z,4E)-1-hydroxy-1,5-diphenyl-penta-1,4-dien-3-one; (2Z,4E)-3-hydroxy-1,5-diphenyl-penta-2,4-dien-1-one
- 6290-84-2
- NSC 78
- (1Z,4E)-1-Hydroxy-1,5-diphenyl-1,4-pentadien-3-one
-
- Inchi： 1S/2C17H14O2.Cu/c2*18-16(12-11-14-7-3-1-4-8-14)13-17(19)15-9-5-2-6-10-15;/h2*1-13,19H;/q;;+2/p-2/b2*12-11+,17-13-;
- InChI Key： JWTWTYXRVBLYPR-ZCPHFLNESA-L
- SMILES： [Cu+2].[O-]/C(=C\C(/C=C/C1C=CC=CC=1)=O)/C1C=CC=CC=1.[O-]/C(=C\C(/C=C/C1C=CC=CC=1)=O)/C1C=CC=CC=1
Computed Properties
- Exact Mass: 563.12844
- Monoisotopic Mass: 561.112706g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 39
- Rotatable Bond Count: 8
- Complexity: 342
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 4
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 80.3?2
Experimental Properties
- PSA: 68.28
- LogP: 7.08130
1,5-diphenyl-4-pentene-1,3-dione, Copper (ii) Deriv. Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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