Cas no 441352-90-5 (2,2',2''-(Benzene-1,3,5-triyl)tris(9,9-dimethyl-9H-fluorene))
441352-90-5 structure
Product Name:2,2',2''-(Benzene-1,3,5-triyl)tris(9,9-dimethyl-9H-fluorene)
CAS No:441352-90-5
MF:C51H42
MW:654.879193782806
CID:2827754
PubChem ID:23534178
Update Time:2025-04-21
2,2',2''-(Benzene-1,3,5-triyl)tris(9,9-dimethyl-9H-fluorene) Chemical and Physical Properties
Names and Identifiers
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- 1,3,5-tris(9,9-di-methylfluoren-2-yl)benzene
- DTXSID90634797
- 2,2',2''-(Benzene-1,3,5-triyl)tris(9,9-dimethyl-9H-fluorene)
- 441352-90-5
- DTXCID00585549
-
- Inchi： 1S/C51H42/c1-49(2)43-16-10-7-13-37(43)40-22-19-31(28-46(40)49)34-25-35(32-20-23-41-38-14-8-11-17-44(38)50(3,4)47(41)29-32)27-36(26-34)33-21-24-42-39-15-9-12-18-45(39)51(5,6)48(42)30-33/h7-30H,1-6H3
- InChI Key： MSHXNWVQKXHWIN-UHFFFAOYSA-N
- SMILES： C1(C)(C)C2C=CC=CC=2C2C=CC(C3C=C(C=C(C=3)C3C=CC4C5C=CC=CC=5C(C)(C)C=4C=3)C3C=CC4C5C=CC=CC=5C(C)(C)C=4C=3)=CC1=2
Computed Properties
- Exact Mass: 654.328651340Da
- Monoisotopic Mass: 654.328651340Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 51
- Rotatable Bond Count: 3
- Complexity: 1090
- 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: 14.3
- Topological Polar Surface Area: 0?2
2,2',2''-(Benzene-1,3,5-triyl)tris(9,9-dimethyl-9H-fluorene) Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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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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