4,4'''-Bis((2-butyloctyl)oxy)-1,1':4',1'':4'',1'''-quaterphenyl
Basic information
- CAS
18434-08-7- Standard SMILES
CCCCCCC(CCCC)COc1ccc(-c2ccc(-c3ccc(-c4ccc(OCC(CCCC)CCCCCC)cc4)cc3)cc2)cc1- InChIKey
JMLYWQXLJYRYHL-UHFFFAOYSA-N- Molecular formula
- C48H66O2
- Average molar mass
- 675 g/mol
- Monoisotopic mass
- 674.50628134
Names & identifiers
- Preferred name
- 4,4'''-Bis((2-butyloctyl)oxy)-1,1':4',1'':4'',1'''-quaterphenyl
- IUPAC
- 1-(2-butyloctoxy)-4-[4-[4-[4-(2-butyloctoxy)phenyl]phenyl]phenyl]benzene
- English name
- 4,4'''-bis[(2-butyloctyl)oxy]-1,1':4',1'':4'',1'''-quaterphenyl
- Molecular formula
- C48H66O2
- Molecular weight
- 675.04
Names & synonyms
18434-08-74,4'''-Bis(2-butyloctyloxy)-p-quaterphenyl4,4'''-bis[(2-butyloctyl)oxy]-1,1':4',1'':4'',1'''-quaterphenyl4,4'''-Bis((2-butyloctyl)oxy)-1,1':4',1'':4'',1'''-quaterphenylCCRIS 4969EINECS 242-310-097212LUM7TPILOT 386QP-G 1211,44-DI-(2-BUTYLOCTYLOXY)-P-QUATERPHENYL4,4'''-DI(2-BUTYLOCTOXY-1)-P-QUATERPHENYL1,1':4',1'':4'',1'''-QUATERPHENYL, 4,4'''-BIS((2-BUTYLOCTYL)OXY)-
Show more names
4,4''''''-(2-butyloctyloxy)-p-quaterphenyl4,4'''-Bis[(2-butyloctyl)oxy]-p-quaterphenyl4,4'''-Bis[(2-butyloctyl)oxy]-1,1':4',1'':4'',1'''-quaterbenzene1,1':4',1'':4'',1'''-Quaterphenyl, 4,4'''-bis[(2-butyloctyl)oxy]-
RefChem:506353242-310-01-(2-butyloctoxy)-4-[4-[4-[4-(2-butyloctoxy)phenyl]phenyl]phenyl]benzeneMFCD02667784BBQ4,4/'/'/'-bis[(2-butyloctyl)oxy]-1,1/':4/',1/'/':4/'/',1/'/'/'-quaterphenyl4,4'''-bis[(2-butyloctyl)oxy]-1,1'JMLYWQXLJYRYHL-UHFFFAOYSA-N
Database identifiers
- CAS
18434-08-7- PubChem CID
- 86734
- DTXSID
DTXSID40939825- UNII
- 97212LUM7T
- EC Number
- 242-310-0
- Nikkaji
- J266.171C
Properties
Computed structural properties
- XLogP
- 17.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 25
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 712
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Other Aromatic Compounds
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 163 °C · 163°C(lit.)
- Boiling point
- 763.3 · 763.3±55.0 °C(Predicted)
- Density
- 0.968 · 0.968±0.06 g/cm3(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- FDA UNII
- 97212 LUM7T · 97212LUM7T
- HS Code
- 2909.3 · 2909.30.6000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Safety data
- hs_code
- 2909.30.6000
Chemistry & industry
Applications
DescriptionBiBuQ is a bioactive compound widely used in the discovery of anti-cancer drugs. It hinders the proliferation and development of malignant cells through its unique composition. This drug activity demonstrated its potential ability to inhibit breast, lung, prostate, and colon malignancies.
Related reactions
0 records
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Compound notes
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