Cas no 97765-42-9 (Benzene, 1,4-bis[[4-(phenylethynyl)phenyl]ethynyl]-)
![Benzene, 1,4-bis[[4-(phenylethynyl)phenyl]ethynyl]- structure](https://ossimg.kuujia.com/scimg/98000/97765-42-9x500.png)
97765-42-9 structure
Product Name:Benzene, 1,4-bis[[4-(phenylethynyl)phenyl]ethynyl]-
CAS No:97765-42-9
MF:C38H22
MW:478.581289768219
CID:2820339
PubChem ID:11843785
Update Time:2025-04-21
Benzene, 1,4-bis[[4-(phenylethynyl)phenyl]ethynyl]- Chemical and Physical Properties
Names and Identifiers
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- DTXSID00474303
- 97765-42-9
- Benzene, 1,4-bis[[4-(phenylethynyl)phenyl]ethynyl]-
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- Inchi： 1S/C38H22/c1-3-7-31(8-4-1)11-13-33-15-19-35(20-16-33)23-25-37-27-29-38(30-28-37)26-24-36-21-17-34(18-22-36)14-12-32-9-5-2-6-10-32/h1-10,15-22,27-30H
- InChI Key： BTTTWMMWGSDKRA-UHFFFAOYSA-N
- SMILES： C1(C#CC2C=CC(C#CC3C=CC=CC=3)=CC=2)C=CC(C#CC2C=CC(C#CC3C=CC=CC=3)=CC=2)=CC=1
Computed Properties
- Exact Mass: 478.172150702Da
- Monoisotopic Mass: 478.172150702Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 38
- Rotatable Bond Count: 8
- Complexity: 913
- 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: 10.8
- Topological Polar Surface Area: 0?2
Benzene, 1,4-bis[[4-(phenylethynyl)phenyl]ethynyl]- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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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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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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