Cas no 105599-05-1 (1,2-Di([1,1':4',1''-terphenyl]-4-yl)ethanone)
![1,2-Di([1,1':4',1''-terphenyl]-4-yl)ethanone structure](https://ossimg.kuujia.com/scimg/106000/105599-05-1x500.png)
105599-05-1 structure
Product Name:1,2-Di([1,1':4',1''-terphenyl]-4-yl)ethanone
CAS No:105599-05-1
MF:C38H28O
MW:500.628330230713
CID:1093303
PubChem ID:72942662
Update Time:2025-04-20
1,2-Di([1,1':4',1''-terphenyl]-4-yl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Di([1,1':4',1''-terphenyl]-4-yl)ethanone
- 1,2-bis[4-(4-phenylphenyl)phenyl]ethanone
- 105599-05-1
-
- Inchi： 1S/C38H28O/c39-38(37-25-23-36(24-26-37)35-21-17-33(18-22-35)30-9-5-2-6-10-30)27-28-11-13-31(14-12-28)34-19-15-32(16-20-34)29-7-3-1-4-8-29/h1-26H,27H2
- InChI Key： KKHDIFGHXWCTLD-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(=CC=1)C1C=CC(C2C=CC=CC=2)=CC=1)CC1C=CC(=CC=1)C1C=CC(C2C=CC=CC=2)=CC=1
Computed Properties
- Exact Mass: 500.214015512g/mol
- Monoisotopic Mass: 500.214015512g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 39
- Rotatable Bond Count: 7
- Complexity: 712
- 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: 9.7
- Topological Polar Surface Area: 17.1?2
1,2-Di([1,1':4',1''-terphenyl]-4-yl)ethanone Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
105599-05-1 (1,2-Di([1,1':4',1''-terphenyl]-4-yl)ethanone) Related Products
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