Cas no 54523-25-0 (2,4-Cyclopentadien-1-one, 3,3'-(1,3-phenylene)bis[2,4,5-triphenyl-)
54523-25-0 structure
Product Name:2,4-Cyclopentadien-1-one, 3,3'-(1,3-phenylene)bis[2,4,5-triphenyl-
CAS No:54523-25-0
MF:C52H34O2
MW:690.825173854828
CID:354375
PubChem ID:15321439
Update Time:2025-04-19
2,4-Cyclopentadien-1-one, 3,3'-(1,3-phenylene)bis[2,4,5-triphenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-[3-(3-oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)phenyl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one
- 3,3'-(1,3-Phenylene)bis(2,4,5-triphenylcyclopenta-2,4-dien-1-one)
- 54523-25-0
- DTXSID40571426
- 3,3'-(1,3-phenylene)bis[2,4,5-triphenyl-cyclopentadienone)
- 2,4-Cyclopentadien-1-one, 3,3'-(1,3-phenylene)bis[2,4,5-triphenyl-
-
- Inchi： 1S/C52H34O2/c53-51-47(37-24-11-3-12-25-37)43(35-20-7-1-8-21-35)45(49(51)39-28-15-5-16-29-39)41-32-19-33-42(34-41)46-44(36-22-9-2-10-23-36)48(38-26-13-4-14-27-38)52(54)50(46)40-30-17-6-18-31-40/h1-34H
- InChI Key： TWJLUFFVMDCHHL-UHFFFAOYSA-N
- SMILES： O=C1C(C2C=CC=CC=2)=C(C2C=CC=CC=2)C(=C1C1C=CC=CC=1)C1C=CC=C(C=1)C1=C(C2C=CC=CC=2)C(C(C2C=CC=CC=2)=C1C1C=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: 1380
- 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, 3,3'-(1,3-phenylene)bis[2,4,5-triphenyl- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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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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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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