Cas no 922184-88-1 (Rubicene, 5-phenoxy-)
Rubicene, 5-phenoxy- structure
Product Name:Rubicene, 5-phenoxy-
CAS No:922184-88-1
MF:C32H18O
MW:418.484728336334
CID:741492
PubChem ID:71421570
Update Time:2025-04-19
Rubicene, 5-phenoxy- Chemical and Physical Properties
Names and Identifiers
-
- Rubicene, 5-phenoxy-
- 5-phenoxyrubicene
- DTXSID50840630
- 922184-88-1
-
- Inchi： 1S/C32H18O/c1-2-8-19(9-3-1)33-20-16-17-25-28(18-20)24-13-7-15-26-29-22-11-5-4-10-21(22)23-12-6-14-27(30(23)29)32(25)31(24)26/h1-18H
- InChI Key： LWDPEXCRYHRKJN-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C1C=CC2=C(C=1)C1C=CC=C3C4C5C=CC=CC=5C5=CC=CC(C=45)=C2C3=1
Computed Properties
- Exact Mass: 418.135765193g/mol
- Monoisotopic Mass: 418.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 33
- Rotatable Bond Count: 2
- Complexity: 724
- 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: 8.6
- Topological Polar Surface Area: 9.2?2
Rubicene, 5-phenoxy- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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