Cas no 685531-18-4 (2,2'-(Ethane-1,2-diyl)bis(9,9-didecyl-9H-fluorene))
685531-18-4 structure
Product Name:2,2'-(Ethane-1,2-diyl)bis(9,9-didecyl-9H-fluorene)
CAS No:685531-18-4
MF:C68H102
MW:919.537500858307
CID:2798970
PubChem ID:71367371
Update Time:2025-04-21
2,2'-(Ethane-1,2-diyl)bis(9,9-didecyl-9H-fluorene) Chemical and Physical Properties
Names and Identifiers
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- 685531-18-4
- DTXSID20790496
- 2,2'-(Ethane-1,2-diyl)bis(9,9-didecyl-9H-fluorene)
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- Inchi： 1S/C68H102/c1-5-9-13-17-21-25-29-37-51-67(52-38-30-26-22-18-14-10-6-2)63-43-35-33-41-59(63)61-49-47-57(55-65(61)67)45-46-58-48-50-62-60-42-34-36-44-64(60)68(66(62)56-58,53-39-31-27-23-19-15-11-7-3)54-40-32-28-24-20-16-12-8-4/h33-36,41-44,47-50,55-56H,5-32,37-40,45-46,51-54H2,1-4H3
- InChI Key： IRERJSWQUVMDOR-UHFFFAOYSA-N
- SMILES： C1(C2C=CC=CC=2C2C=CC(CCC3C=CC4C5C=CC=CC=5C(CCCCCCCCCC)(CCCCCCCCCC)C=4C=3)=CC1=2)(CCCCCCCCCC)CCCCCCCCCC
Computed Properties
- Exact Mass: 918.79815325Da
- Monoisotopic Mass: 918.79815325Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 68
- Rotatable Bond Count: 39
- 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: 28.6
- Topological Polar Surface Area: 0?2
2,2'-(Ethane-1,2-diyl)bis(9,9-didecyl-9H-fluorene) Related Literature
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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