SPIRO-TTB CAS#: 515834-67-0; ChemWhat Code: 1411596

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

Identification

Product NameSPIRO-TTB
IUPAC Name2-N,2-N,2-N’,2-N’,7-N,7-N,7-N’,7-N’-octakis(4-methylphenyl)-9,9′-spirobi[fluorene]-2,2′,7,7′-tetramine
Molecular StructureSpiro-TTB-2277-tetraN-N-di-tolylaMino-spiro-bifluor-CAS-515834-67-0
CAS Registry Number 515834-67-0
MDL NumberMFCD28968052
SynonymsSPIRO-TTB
515834-67-0
2,2′,7,7′-Tetrakis(di-p-tolylamino)spiro-9,9′-bifluorene
N2,N2,N2′,N2′,N7,N7,N7′,N7′-Octa-p-tolyl-9,9′-spirobi[fluorene]-2,2′,7,7′-tetraamine
2,2′,7,7′-tetra(N,N-di-p-tolyl)amino-9,9-spirobifluorene
Spiro-TTB , 2,2′,7,7′-tetra(N, N-di-tolyl)aMino-spiro-bifluor
SCHEMBL133508
CS-0378827
2,2′,7,7′-tetra(N,N-ditolyl)amino-9,9-spiro-bifluorene
2,2′,7,7′-Tetrakis(di-4-methylphenylamino)-9,9′-spirobifluorene
2,2′,7,7′-Tetrakis[bis(4-methylphenyl)amino]-9,9′-spirobi[9H-fluorene]
2-N,2-N,2-N’,2-N’,7-N,7-N,7-N’,7-N’-octakis(4-methylphenyl)-9,9′-spirobi[fluorene]-2,2′,7,7′-tetramine
Molecular FormulaC81H68N4
Molecular Weight1097.4
InChIInChI=1S/C81H68N4/c1-53-9-25-61(26-10-53)82(62-27-11-54(2)12-28-62)69-41-45-73-74-46-42-70(83(63-29-13-55(3)14-30-63)64-31-15-56(4)16-32-64)50-78(74)81(77(73)49-69)79-51-71(84(65-33-17-57(5)18-34-65)66-35-19-58(6)20-36-66)43-47-75(79)76-48-44-72(52-80(76)81)85(67-37-21-59(7)22-38-67)68-39-23-60(8)24-40-68/h9-52H,1-8H3  
InChI KeyVMPLMOXGWULJTH-UHFFFAOYSA-N  
Canonical SMILESCC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC4=C(C=C3)C5=C(C46C7=C(C=CC(=C7)N(C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)C1=C6C=C(C=C1)N(C1=CC=C(C=C1)C)C1=CC=C(C=C1)C)C=C(C=C5)N(C1=CC=C(C=C1)C)C1=CC=C(C=C1)C  
Patent Information
Patent IDTitlePublication Date
 TW2021/10788Electronic device 2021
US2019/51843ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES2019
KR2016/39625ORGANIC ELECTROLUMINESCENCE COMPOSITION, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, SOLUTION OF MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ORGANIC ELECTROLUMINESCENCE ELEMENT2016
 US2016/240800ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES2016

Physical Data

AppearanceWhite powder

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHz
Chemical shifts1Hchloroform-d1400
Chemical shifts13Cchloroform-d1101
Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Comment (UV/VIS Spectroscopy)Absorption Maxima (UV/VIS), nm
Spectrumfilm386
Spectrumtetrahydrofuran385

Route of Synthesis (ROS)

Route of Synthesis (ROS) of SPIRO-TTB CAS 515834-67-0

Route of Synthesis (ROS) of SPIRO-TTB CAS 515834-67-0

ConditionsYield
With tri-tert-butyl phosphine; palladium diacetate; sodium t-butanolate In toluene at 115℃; for 12h;85%

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 Weight1097.46
logP24.514
HBA4
HBD0
Matching Lipinski Rules2
Veber rules component
Polar Surface Area (PSA)12.96
Rotatable Bond (RotB)12
Matching Veber Rules1
Use Pattern
SPIRO-TTB CAS: #515834-67-0 is used as an emissive layer material in OLEDs and OPVs. In OLEDs, it serves as an electron transport material and an emitter, converting electrical energy into visible light through electroluminescence. In OPVs, Spiro-TTB functions as a photoactive material, facilitating the conversion of light energy into electrical energy.
The incorporation of Spiro-TTB in OLEDs and OPVs can improve device efficiency. In OLEDs, it provides efficient electron transport and emissive properties, enhancing the device’s luminescence efficiency and charge injection balance. In OPVs, the photoactive performance of Spiro-TTB helps to increase the device’s solar energy conversion efficiency.
And Spiro-TTB exhibits good photostability and long lifespan characteristics, contributing to the extended operation of OLEDs and OPVs. This is due to the structural stability and antioxidative properties of Spiro-TTB, allowing it to resist the impact of external factors such as light exposure, humidity, and oxygen.

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