Cas no 653563-92-9 (Benzenamine, 4-[[4-[(pentafluorophenyl)ethynyl]phenyl]ethynyl]-)
![Benzenamine, 4-[[4-[(pentafluorophenyl)ethynyl]phenyl]ethynyl]- structure](https://ossimg.kuujia.com/scimg/654000/653563-92-9x500.png)
653563-92-9 structure
Product Name:Benzenamine, 4-[[4-[(pentafluorophenyl)ethynyl]phenyl]ethynyl]-
CAS No:653563-92-9
MF:C22H10F5N
MW:383.313522815704
CID:400639
PubChem ID:58800917
Update Time:2025-04-19
Benzenamine, 4-[[4-[(pentafluorophenyl)ethynyl]phenyl]ethynyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 4-[[4-[(pentafluorophenyl)ethynyl]phenyl]ethynyl]-
- 4-[2-[4-[2-(2,3,4,5,6-pentafluorophenyl)ethynyl]phenyl]ethynyl]aniline
- 4-({4-[(Pentafluorophenyl)ethynyl]phenyl}ethynyl)aniline
- 653563-92-9
- DTXSID20730256
- SCHEMBL13052576
-
- Inchi： 1S/C22H10F5N/c23-18-17(19(24)21(26)22(27)20(18)25)12-9-14-4-1-13(2-5-14)3-6-15-7-10-16(28)11-8-15/h1-2,4-5,7-8,10-11H,28H2
- InChI Key： BPVMNPNYCQCWCX-UHFFFAOYSA-N
- SMILES： FC1C(=C(C(=C(C=1C#CC1C=CC(C#CC2C=CC(=CC=2)N)=CC=1)F)F)F)F
Computed Properties
- Exact Mass: 383.0734
- Monoisotopic Mass: 383.07334013g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 28
- Rotatable Bond Count: 4
- Complexity: 637
- 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: 5.8
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.02
Benzenamine, 4-[[4-[(pentafluorophenyl)ethynyl]phenyl]ethynyl]- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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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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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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