1,1',1''-[Benzene-1,3,5-triyltri(propane-2,2-diyl)]tris{4-[(6-bromohexyl)oxy]benzene}
Basic information
- CAS
593156-87-7- Standard SMILES
CC(C)(c1ccc(OCCCCCCBr)cc1)c1cc(C(C)(C)c2ccc(OCCCCCCBr)cc2)cc(C(C)(C)c2ccc(OCCCCCCBr)cc2)c1- InChIKey
OVDLVCVEHZMLGI-UHFFFAOYSA-N- Molecular formula
- C51H69Br3O3
- Average molar mass
- 969.8 g/mol
- Monoisotopic mass
- 966.27968
Names & identifiers
- Preferred name
- 1,1',1''-[Benzene-1,3,5-triyltri(propane-2,2-diyl)]tris{4-[(6-bromohexyl)oxy]benzene}
- IUPAC
- 1,3,5-tris[2-[4-(6-bromohexoxy)phenyl]propan-2-yl]benzene
Names & synonyms
593156-87-7DTXSID607871831,1',1''-[Benzene-1,3,5-triyltri(propane-2,2-diyl)]tris{4-[(6-bromohexyl)oxy]benzene}
Database identifiers
- CAS
593156-87-7- PubChem CID
- 71363670
- DTXSID
DTXSID60787183
Properties
Computed structural properties
- XLogP
- 16.8
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 27
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 884
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Compound notes
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