Cas no 53905-72-9 (2,4-Cyclopentadien-1-one, 2,2'-(1,4-phenylene)bis[3,4,5-triphenyl-)
53905-72-9 structure
Product Name:2,4-Cyclopentadien-1-one, 2,2'-(1,4-phenylene)bis[3,4,5-triphenyl-
CAS No:53905-72-9
MF:C52H34O2
MW:690.825173854828
CID:356095
PubChem ID:71364979
Update Time:2025-04-19
2,4-Cyclopentadien-1-one, 2,2'-(1,4-phenylene)bis[3,4,5-triphenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-[4-(5-oxo-2,3,4-triphenylcyclopenta-1,3-dien-1-yl)phenyl]-3,4,5-triphenylcyclopenta-2,4-dien-1-one
- SCHEMBL20160837
- 2,2'-(1,4-Phenylene)bis(3,4,5-triphenylcyclopenta-2,4-dien-1-one)
- 53905-72-9
- DTXSID90788421
- 2,4-Cyclopentadien-1-one, 2,2'-(1,4-phenylene)bis[3,4,5-triphenyl-
-
- Inchi： 1S/C52H34O2/c53-51-47(39-27-15-5-16-28-39)43(35-19-7-1-8-20-35)45(37-23-11-3-12-24-37)49(51)41-31-33-42(34-32-41)50-46(38-25-13-4-14-26-38)44(36-21-9-2-10-22-36)48(52(50)54)40-29-17-6-18-30-40/h1-34H
- InChI Key： CEQXMUDITQXHDT-UHFFFAOYSA-N
- SMILES： O=C1C(C2C=CC=CC=2)=C(C2C=CC=CC=2)C(C2C=CC=CC=2)=C1C1C=CC(=CC=1)C1C(C(C2C=CC=CC=2)=C(C2C=CC=CC=2)C=1C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 690.25602
- Monoisotopic Mass: 690.255880323g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 54
- Rotatable Bond Count: 8
- Complexity: 1370
- 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: 10.9
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
2,4-Cyclopentadien-1-one, 2,2'-(1,4-phenylene)bis[3,4,5-triphenyl- Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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