Cas no 64198-89-6 (2,4-Cyclopentadien-1-one, 2,3,5-triphenyl-)
64198-89-6 structure
Product Name:2,4-Cyclopentadien-1-one, 2,3,5-triphenyl-
CAS No:64198-89-6
MF:C23H16O
MW:308.372546195984
CID:424750
PubChem ID:418549
Update Time:2025-04-19
2,4-Cyclopentadien-1-one, 2,3,5-triphenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Cyclopentadien-1-one, 2,3,5-triphenyl-
- 2,3,5-triphenylcyclopenta-2,4-dien-1-one
- NSC101877
- 2,4,5-triphenylcyclopentadienone
- SCHEMBL8416730
- Cyclopentadienone,3,5-triphenyl-, dimer
- NSC-101877
- DTXSID40329222
- 64198-89-6
-
- Inchi： 1S/C23H16O/c24-23-21(18-12-6-2-7-13-18)16-20(17-10-4-1-5-11-17)22(23)19-14-8-3-9-15-19/h1-16H
- InChI Key： IWHBZQRHJKVFHA-UHFFFAOYSA-N
- SMILES： O=C1C(C2C=CC=CC=2)=CC(C2C=CC=CC=2)=C1C1C=CC=CC=1
Computed Properties
- Exact Mass: 308.12018
- Monoisotopic Mass: 308.12
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 24
- Rotatable Bond Count: 3
- Complexity: 520
- 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: 5.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2,4-Cyclopentadien-1-one, 2,3,5-triphenyl- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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