Basic information
- CAS
159-66-0- Standard SMILES
c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21- InChIKey
SNFCXVRWFNAHQX-UHFFFAOYSA-N- Molecular formula
- C25H16
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.12520051
Names & identifiers
- Preferred name
- 9,9'-Spirobi(9H-fluorene)
- IUPAC
- 9,9'-spirobi[fluorene]
- English name
- 9,9'-Spirobi[9H-fluorene]
- Molecular formula
- C25H16
- Molecular weight
- 316.39
Names & synonyms
159-66-09,9'-Spirobi[9H-fluorene]9,9'-Spirobi(9H-fluorene)DTXSID80166552RefChem:1074866DTXCID70890439,9'-spirobi[fluorene]9,9'-SPIROBIFLUORENE9,9-Spirobi[9H-Fluorene]MFCD087042169.9'-SpirobifluoreneC25H16
Show more names
SpirobifluoreneJACS-159-66-09,9'-SpirobifL9,9'-Spirobi[9H-fluo9,9'-spirobi[9h-fluorene9,9'-Spirobi[9H-fluorene] >9,9′-Spirobifluorene, CAS 159-66-0
9,9/'-Spirobi[9H-fluorene]9,9'-Spirobi[fluorene];9,9'-Spirobi[9H-fluorene]9,9''-SpirobifluoreneSCHEMBL44942SCHEMBL9919939,9'-Spirobifluorene, 97%9,9'-Spirobifluorene, 98%SCHEMBL3741162
Database identifiers
- CAS
159-66-0- PubChem CID
- 135975
- DTXSID
DTXSID80166552- Nikkaji
- J3.416.921G、J3.416.922E、J619.022G
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- Melting point
- 202 °C · 202 °C
- Boiling point
- 474.9 · 474.9±40.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- Solid
- color
- White to pale yellow
- Water Solubility
- Soluble in common organic solvents. Slightly soluble in water.
- InChI
- 1S/C25H16/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25/h1-16H
- InChIKey
- SNFCXVRWFNAHQX-UHFFFAOYSA-N
- SMILES
- c1ccc2c(c1)-c3ccccc3C24c5ccccc5-c6ccccc46
- CAS DataBase Reference
- 159 · 159-66-0(CAS DataBase Reference)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 29029090
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H228
- Precautionary statements
- P201-P202-P281-P308+P313-P370+P378r-P403-P501c
Chemistry & industry
Applications
UsesA blue light emitting material in organic light emitting diodes (OLEDs). Also used as a blue-emitting material in electroluminescent devices.
Uses9,9′-Spirobifluorene can be used in the synthesis of spirobifluorene based conjugated microporous polymers which can be potentially be used as a gas absorbent. It may be used as a hole transporting material which can be used in the fabrication of perovskite solar cells.
General Description9,9′-Spirobifluorene is a polyfluorene with carbon atoms of the methylene bridge connected to two fluorene molecules. It is mainly used in organic electronics due to its robust structure and two perpendicularly arranged π systems.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
3 records
Compound notes
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