Cas no 651329-44-1 (Boronic acid, [5-[3,5-bis(diphenylamino)phenyl]-2-thienyl]-)
![Boronic acid, [5-[3,5-bis(diphenylamino)phenyl]-2-thienyl]- structure](https://ossimg.kuujia.com/scimg/651500/651329-44-1x500.png)
651329-44-1 structure
Product Name:Boronic acid, [5-[3,5-bis(diphenylamino)phenyl]-2-thienyl]-
CAS No:651329-44-1
MF:C34H27BN2O2S
MW:538.466387033463
CID:405583
PubChem ID:57679054
Update Time:2025-04-19
Boronic acid, [5-[3,5-bis(diphenylamino)phenyl]-2-thienyl]- Chemical and Physical Properties
Names and Identifiers
-
- Boronic acid, [5-[3,5-bis(diphenylamino)phenyl]-2-thienyl]-
- [5-[3,5-bis(N-phenylanilino)phenyl]thiophen-2-yl]boronic acid
- {5-[3,5-Bis(diphenylamino)phenyl]thiophen-2-yl}boronic acid
- 651329-44-1
- DTXSID90727491
- (5-(3,5-Bis(diphenylamino)phenyl)thiophen-2-yl)boronic acid
- (5-(3,5-Bis(diphenylamino)phenyl)thiophen-2-yl)boronicacid
-
- Inchi： 1S/C34H27BN2O2S/c38-35(39)34-22-21-33(40-34)26-23-31(36(27-13-5-1-6-14-27)28-15-7-2-8-16-28)25-32(24-26)37(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-25,38-39H
- InChI Key： XKGICRUPAWMHOI-UHFFFAOYSA-N
- SMILES： S1C(B(O)O)=CC=C1C1C=C(C=C(C=1)N(C1C=CC=CC=1)C1C=CC=CC=1)N(C1C=CC=CC=1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 537.19241
- Monoisotopic Mass: 538.1886294g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 40
- Rotatable Bond Count: 8
- Complexity: 664
- 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
- Topological Polar Surface Area: 75.2?2
Experimental Properties
- PSA: 46.94
Boronic acid, [5-[3,5-bis(diphenylamino)phenyl]-2-thienyl]- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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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Jason Wan Lab Chip, 2020,20, 4528-4538
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