Cas no 137839-66-8 (1,1':2',1''-Terphenyl, 4-bromo-4'-(4-bromophenyl)-4''-methoxy-3'-phenyl-)
137839-66-8 structure
Product Name:1,1':2',1''-Terphenyl, 4-bromo-4'-(4-bromophenyl)-4''-methoxy-3'-phenyl-
CAS No:137839-66-8
MF:C31H22Br2O
MW:570.31378698349
CID:1246292
PubChem ID:71341761
Update Time:2025-04-20
1,1':2',1''-Terphenyl, 4-bromo-4'-(4-bromophenyl)-4''-methoxy-3'-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,1':2',1''-Terphenyl, 4-bromo-4'-(4-bromophenyl)-4''-methoxy-3'-phenyl-
- 1,4-bis(4-bromophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
- 137839-66-8
- DTXSID70768625
-
- Inchi： 1S/C31H22Br2O/c1-34-27-17-11-24(12-18-27)31-29(22-9-15-26(33)16-10-22)20-19-28(21-7-13-25(32)14-8-21)30(31)23-5-3-2-4-6-23/h2-20H,1H3
- InChI Key： VHBDOHUJNYKICP-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)C1=CC=C(C2C=CC(=CC=2)Br)C(C2C=CC=CC=2)=C1C1C=CC(=CC=1)OC
Computed Properties
- Exact Mass: 568.00376
- Monoisotopic Mass: 568.00374g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 34
- Rotatable Bond Count: 5
- Complexity: 595
- 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: 9.8
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
1,1':2',1''-Terphenyl, 4-bromo-4'-(4-bromophenyl)-4''-methoxy-3'-phenyl- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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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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