Cas no 126840-35-5 (1,1'-Biphenyl-2,2',3,3',4,5,5',6,6'-d9,4'-(pentyl-1,1,2,2,3,3,4,4,5,5,5-d11)-)
126840-35-5 structure
Product Name:1,1'-Biphenyl-2,2',3,3',4,5,5',6,6'-d9,4'-(pentyl-1,1,2,2,3,3,4,4,5,5,5-d11)-
CAS No:126840-35-5
MF:C17H20
MW:244.463938713074
CID:103322
PubChem ID:102602311
Update Time:2025-04-18
1,1'-Biphenyl-2,2',3,3',4,5,5',6,6'-d9,4'-(pentyl-1,1,2,2,3,3,4,4,5,5,5-d11)- Chemical and Physical Properties
Names and Identifiers
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- 1,1'-Biphenyl-2,2',3,3',4,5,5',6,6'-d9,4'-(pentyl-1,1,2,2,3,3,4,4,5,5,5-d11)-
- 4-N-PENTYLDIPHENYL-D20
- 126840-35-5
- 1,2,3,4,5-pentadeuterio-6-[2,3,5,6-tetradeuterio-4-(1,1,2,2,3,3,4,4,5,5,5-undecadeuteriopentyl)phenyl]benzene
-
- Inchi： 1S/C17H20/c1-2-3-5-8-15-11-13-17(14-12-15)16-9-6-4-7-10-16/h4,6-7,9-14H,2-3,5,8H2,1H3/i1D3,2D2,3D2,4D,5D2,6D,7D,8D2,9D,10D,11D,12D,13D,14D
- InChI Key： IFUOTAQBVGAZPR-FSMMDHEUSA-N
- SMILES： C([2H])([2H])(C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])C1C([2H])=C([2H])C(C2C([2H])=C([2H])C([2H])=C([2H])C=2[2H])=C([2H])C=1[2H]
Computed Properties
- Exact Mass: 244.282
- Monoisotopic Mass: 244.282
- Isotope Atom Count: 20
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 182
- 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: 6.6
- Topological Polar Surface Area: 0A^2
1,1'-Biphenyl-2,2',3,3',4,5,5',6,6'-d9,4'-(pentyl-1,1,2,2,3,3,4,4,5,5,5-d11)- Related Literature
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Pim van der Asdonk,Hans C. Hendrikse,Atang C. Sauli,Stijn P. M. Kraaijkamp,Paul H. J. Kouwer J. Mater. Chem. C 2016 4 8263
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Karen Kolya Vardanyan,David Matthew Sita,Robert Dominic Walton,William Mark Saidel,Keith Michael Jones RSC Adv. 2013 3 259
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Avik Kumar Bagdi,Matiur Rahman,Dhananjay Bhattacherjee,Grigory V. Zyryanov,Sumit Ghosh,Oleg N. Chupakhin,Alakananda Hajra Green Chem. 2020 22 6632
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Qingxian Jin,Sanxu Chen,Yutao Sang,Haoqing Guo,Shengzhi Dong,Jianlei Han,Wenjie Chen,Xuefeng Yang,Feng Li,Pengfei Duan Chem. Commun. 2019 55 6583
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Si-Chun Zhao,Cong-Long Yuan,Yi-Fei Wang,Pei-Zhi Sun,Bing-Hui Liu,Hong-Long Hu,Dong Shen,Zhi-Gang Zheng J. Mater. Chem. C 2022 10 11767
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