DMFL-CBP 2,7-Bis(carbazol-9-yl)-9,9-dimethylfluorene CAS#: 226958-06-1; ChemWhat Code: 309574

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NameDMFL-CBP 2,7-Bis(carbazol-9-yl)-9,9-dimethylfluorene
IUPAC Name9-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)carbazole 
Molecular Structurestructure of DMFL-CBP CAS 226958-06-1
CAS Registry Number 226958-06-1
Synonyms226958-06-1
9,9′-(9,9-Dimethyl-9H-fluorene-2,7-diyl)bis(9H-carbazole)
9-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)carbazole
2,7-Bis(carbazol-9-yl)-9,9-dimethylfluorene
2,7-Bis(9H-carbazol-9-yl)-9,9-dimethylfluorene
DMFL-CBP 2,7-Bis(carbazol-9-yl)-9,9-dimethylfluorene
DMFL-CBP
SCHEMBL2754646
DTXSID10697627
BJA95806
MFCD12022460
AS-39345
B4960
CS-0336337
2,7-Bis(9H-carbazole-9-yl)-9,9-dimethyl-9H-fluorene
9,9′-(9,9-Dimethyl-9H-fluorene-2,7-diyl)di(9H-carbazole)
9,9-(9,9-Dimethyl-9H-fluorene-2,7-diyl)bis[9H-carbazole]
9,9(2)-(9,9-Dimethyl-9H-fluorene-2,7-diyl)bis-9H-carbazole
Molecular FormulaC39H28N2
Molecular Weight524.7
InChI InChI=1S/C39H28N2/c1-39(2)33-23-25(40-35-15-7-3-11-29(35)30-12-4-8-16-36(30)40)19-21-27(33)28-22-20-26(24-34(28)39)41-37-17-9-5-13-31(37)32-14-6-10-18-38(32)41/h3-24H,1-2H3  
InChI KeyIEQGNDONCZPWMW-UHFFFAOYSA-N 
Patent Information
Patent IDTitlePublication Date
US2022/213113NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUNDS, FLUORESCENCE EMITTERS, ORGANIC ELECTROLUMINESCENT DEVICES, AND MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES2022
KR2015/66429Organic Compound and Organic Light Emitting Diode Devices using the same2015

Physical Data

AppearanceWhite powder

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)
Chemical shifts, Spectrum1Hchloroform-d1
Chemical shifts, Spectrum13Cchloroform-d1
Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Absorption Maxima (UV/VIS), nm
Spectrumtoluene342
Spectrumneat (no solvent, solid phase)374
Spectrum
dichloromethane		360

Route of Synthesis (ROS)

Route of Synthesis (ROS) of DMFL-CBP 2,7-Bis(carbazol-9-yl)-9,9-dimethylfluorene CAS: 226958-06-1

ConditionsYield
With potassium phosphate; copper(l) iodide; trans-1,2-Diaminocyclohexane In 1,4-dioxane for 12h; Reflux;67%
Experimental Procedure
10 g (28.403 mmol) of 2,7-dibromo-9,9-dimethyl-9H-fluorene, 9.5 g (56.806 mmol) of carbazole, 4.3 g (22.722 mmol) of copper iodide 36 g (170.418 mmol) of potassium (K3PO4) and 2.7 ml (22.722 mmol) of trans-1,2-cyclohexanediamine were dissolved in 1,4-dioxane and stirred under reflux for 12 hours . After completion of the reaction, the reaction mixture was distilled under reduced pressure to remove the solvent. The solvent was distilled off, and the residue was subjected to column chromatography using a solvent mixture of n-hexane and methylene chloride (4: 1) The solvent was distilled off under reduced pressure and the residue was recrystallized in a solvent of methylene chloride and petroleum ether to obtain 4.0 g (yield: 67%) of compound FL-1.

Safety and Hazards

No data available

Other Data

TransportationUnder room temperature away from light
HS Code
StorageUnder room temperature away from light
Shelf Life2 years
Market Price
Druglikeness
Lipinski rules component
Molecular Weight524.665
logP12.01
HBA2
HBD0
Matching Lipinski Rules2
Veber rules component
Polar Surface Area (PSA)9.86
Rotatable Bond (RotB)2
Matching Veber Rules2
Use Pattern
DMFL-CBP 2,7-Bis(carbazol-9-yl)-9,9-dimethylfluorene CAS#: 226958-06-1 is widely used as a catalyst or reagent in organic synthesis reactions.

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