Cas no 51580-22-4 (Anthracene, 1-methoxy-9,10-bis(phenylethynyl)-)
51580-22-4 structure
Product Name:Anthracene, 1-methoxy-9,10-bis(phenylethynyl)-
CAS No:51580-22-4
MF:C31H20O
MW:408.489908218384
CID:361955
PubChem ID:15839695
Update Time:2025-04-19
Anthracene, 1-methoxy-9,10-bis(phenylethynyl)- Chemical and Physical Properties
Names and Identifiers
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- Anthracene, 1-methoxy-9,10-bis(phenylethynyl)-
- 1-methoxy-9,10-bis(2-phenylethynyl)anthracene
- 1-methoxy-9,10-bis(phenylethynyl)anthracene
- DTXSID10578780
- 51580-22-4
- SCHEMBL429875
-
- Inchi： 1S/C31H20O/c1-32-30-18-10-17-28-27(21-19-23-11-4-2-5-12-23)25-15-8-9-16-26(25)29(31(28)30)22-20-24-13-6-3-7-14-24/h2-18H,1H3
- InChI Key： ISGNKKCVOWFMSF-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC=C2C(C#CC3C=CC=CC=3)=C3C=CC=CC3=C(C#CC3C=CC=CC=3)C2=1
Computed Properties
- Exact Mass: 408.1515
- Monoisotopic Mass: 408.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 32
- Rotatable Bond Count: 5
- Complexity: 742
- 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: 8.4
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Anthracene, 1-methoxy-9,10-bis(phenylethynyl)- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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