Cas no 59745-29-8 (Benzene, 1,1'-oxybis[4-(phenylethynyl)-)
59745-29-8 structure
Product Name:Benzene, 1,1'-oxybis[4-(phenylethynyl)-
CAS No:59745-29-8
MF:C28H18O
MW:370.441927433014
CID:337433
PubChem ID:10883162
Update Time:2025-04-19
Benzene, 1,1'-oxybis[4-(phenylethynyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-(2-phenylethynyl)-4-[4-(2-phenylethynyl)phenoxy]benzene
- Benzene, 1,1'-oxybis[4-(phenylethynyl)-
- SCHEMBL3839253
- 59745-29-8
- 4,4'-di(phenylethynyl)-diphenyl ether
- DTXSID90447026
-
- Inchi： 1S/C28H18O/c1-3-7-23(8-4-1)11-13-25-15-19-27(20-16-25)29-28-21-17-26(18-22-28)14-12-24-9-5-2-6-10-24/h1-10,15-22H
- InChI Key： KLIGHBZBIVPKJR-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C#CC2C=CC=CC=2)=CC=1)C1C=CC(C#CC2C=CC=CC=2)=CC=1
Computed Properties
- Exact Mass: 370.13584
- Monoisotopic Mass: 370.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 29
- Rotatable Bond Count: 6
- Complexity: 552
- 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: 7.5
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Benzene, 1,1'-oxybis[4-(phenylethynyl)- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
59745-29-8 (Benzene, 1,1'-oxybis[4-(phenylethynyl)-) Related Products
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