Cas no 61676-21-9 (Benzonitrile, 4-[2-(4'-heptyl[1,1'-biphenyl]-4-yl)ethyl]-)
![Benzonitrile, 4-[2-(4'-heptyl[1,1'-biphenyl]-4-yl)ethyl]- structure](https://ossimg.kuujia.com/scimg/62000/61676-21-9x500.png)
61676-21-9 structure
Product Name:Benzonitrile, 4-[2-(4'-heptyl[1,1'-biphenyl]-4-yl)ethyl]-
CAS No:61676-21-9
MF:C28H31N
MW:381.552447557449
CID:470502
PubChem ID:71393523
Update Time:2025-04-19
Benzonitrile, 4-[2-(4'-heptyl[1,1'-biphenyl]-4-yl)ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-[2-(4'-heptyl[1,1'-biphenyl]-4-yl)ethyl]-
- 4-[2-[4-(4-heptylphenyl)phenyl]ethyl]benzonitrile
- 61676-21-9
- 4-[2-(4'-Heptyl[1,1'-biphenyl]-4-yl)ethyl]benzonitrile
- DTXSID70815284
-
- Inchi： 1S/C28H31N/c1-2-3-4-5-6-7-23-14-18-27(19-15-23)28-20-16-25(17-21-28)9-8-24-10-12-26(22-29)13-11-24/h10-21H,2-9H2,1H3
- InChI Key： WJJUIEQJFRTLGY-UHFFFAOYSA-N
- SMILES： N#CC1C=CC(=CC=1)CCC1C=CC(=CC=1)C1C=CC(=CC=1)CCCCCCC
Computed Properties
- Exact Mass: 381.24583
- Monoisotopic Mass: 381.245649993g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 29
- Rotatable Bond Count: 10
- Complexity: 464
- 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
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- PSA: 23.79
Benzonitrile, 4-[2-(4'-heptyl[1,1'-biphenyl]-4-yl)ethyl]- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
61676-21-9 (Benzonitrile, 4-[2-(4'-heptyl[1,1'-biphenyl]-4-yl)ethyl]-) Related Products
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