Cas no 685114-64-1 (1,3,5-tris-(4-bromo-1,1'-diphenyl-4'-yl)benzene)
685114-64-1 structure
Product Name:1,3,5-tris-(4-bromo-1,1'-diphenyl-4'-yl)benzene
CAS No:685114-64-1
MF:C42H27Br3
MW:771.375788927078
CID:3037844
PubChem ID:101726007
Update Time:2025-04-21
1,3,5-tris-(4-bromo-1,1'-diphenyl-4'-yl)benzene Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-tris-(4-bromo-1,1'-diphenyl-4'-yl)benzene
- 1,3,5-tris(4'-bromobiphenyl-4-yl)benzene;1,3,5-tri(4'-bromobiphenyl-4-yl)benzene;1,3,5-tris(4'-bromobiphenyl)benzene;
- SCHEMBL17600463
- 685114-64-1
- 4,4''''-Dibromo-5''-(4'-bromo-[1,1'-biphenyl]-4-yl)-1,1':4',1'':3'',1''':4''',1''''-quinquephenyl
-
- Inchi： 1S/C42H27Br3/c43-40-19-13-31(14-20-40)28-1-7-34(8-2-28)37-25-38(35-9-3-29(4-10-35)32-15-21-41(44)22-16-32)27-39(26-37)36-11-5-30(6-12-36)33-17-23-42(45)24-18-33/h1-27H
- InChI Key： GBOXYJJLNPROOD-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)C1C=CC(=CC=1)C1C=C(C2C=CC(C3C=CC(=CC=3)Br)=CC=2)C=C(C2C=CC(C3C=CC(=CC=3)Br)=CC=2)C=1
Computed Properties
- Exact Mass: 767.96600
- Monoisotopic Mass: 767.96629Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 45
- Rotatable Bond Count: 6
- Complexity: 730
- 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: 13.8
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0.00000
- LogP: 13.97610
1,3,5-tris-(4-bromo-1,1'-diphenyl-4'-yl)benzene Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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