Spiro-MeOTAD

• CAS: 207739-72-8
• Catalog Number: ACM207739728-5
• Category: Dye-Sensitized Solar Cell (DSSC)
• Molecular Weight: 1225.43
• Molecular Formula: C81H68N4O8
• Description: This product is an enabling product used as a Hole Transport Material for high-performance solar cells and thus has been enhanced for energy efficiency.
• Synonyms: N2,N2,N2',N2',N7,N7,N7',N7'-octakis(4-methoxyphenyl)-9,9'-spirobi[9H-fluorene]-2,2',7,7'-tetramine,Spiro-OMeTAD
• IUPAC Name: 2,2,7,7-tetrakis(N,N-di-p-methoxyphenyl-amine)-9,9-spirobifluorene
• Canonical SMILES: COC(C=C1)=CC=C1N(C2=CC=C(C=C2)OC)C(C=C3)=CC4=C3C(C=CC(N(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)=C7)=C7C84C9=C(C=CC(N(C%10=CC=C(C=C%10)OC)C%11=CC=C(C=C%11)OC)=C9)C%12=C8C=C(N(C%13=CC=C(C=C%13)OC)C%14=CC=C(C=C%14)OC)C=C%12
• InChI: InChI=1S/C81H68N4O8/c1-86-65-29-9-53(10-30-65)82(54-11-31-66(87-2)32-12-54)61-25-45-73-74-46-26-62(83(55-13-33-67(88-3)34-14-55)56-15-35-68(89-4)36-16-56)50-78(74)81(77(73)49-61)79-51-63(84(57-17-37-69(90-5)38-18-57)58-19-39-70(91-6)40-20-58)27-47-75(79)76-48-28-64(52-80(76)81)85(59-21-41-71(92-7)42-22-59)60-23-43-72(93-8)44-24-60/h9-52H,1-8H3,XDXWNHPWWKGTKO-UHFFFAOYSA-N
• InChI Key: XDXWNHPWWKGTKO-UHFFFAOYSA-N
• Boiling Point: 243 - 248 °C
• Melting Point: 243-248 °C
• Density: 1.06 g/ml
• Application: High-mobility material used for white OLEDs to increase hole injection and transport. It is the best solid-state hole transporting material, to date, used to replace the liquid electrolyte for DSSC solar cells, due to an excellent pore-filling property in nanoporous TiO2 film with pore size of around 30-50 nm; attributed to its small molecular size.
• Storage: room temp
• Assay: 99% (HPLC)
• Color/Form: Light Yellow
• Exact Mass: 1224.50000
• Form: Powder
• MDL Number: MFCD12022511
• Packaging: 1, 5 g in glass bottle
• Quality Level: 100

Custom Q&A

What is the IUPAC Name of Spiro-MeOTAD?

The IUPAC Name of Spiro-MeOTAD is 2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine.

What is the Canonical SMILES representation of Spiro-MeOTAD?

The Canonical SMILES representation of Spiro-MeOTAD is COC1=CC=C(C=C1)N(C2=CC=C(C=C2)OC)C3=CC4=C(C=C3)C5=C(C46C7=C(C=CC(=C7)N(C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)C1=C6C=C(C=C1)N(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC.

What is the InChIKey of Spiro-MeOTAD?

The InChIKey of Spiro-MeOTAD is XDXWNHPWWKGTKO-UHFFFAOYSA-N.

What is the Molecular Weight of Spiro-MeOTAD?

The Molecular Weight of Spiro-MeOTAD is 1225.4 g/mol.

How many Hydrogen Bond Acceptor Count does Spiro-MeOTAD have?

Spiro-MeOTAD has 12 Hydrogen Bond Acceptor Count.

What is the Topological Polar Surface Area of Spiro-MeOTAD?

The Topological Polar Surface Area of Spiro-MeOTAD is 86.8 Ų.

How many Rotatable Bond Count does Spiro-MeOTAD have?

Spiro-MeOTAD has 20 Rotatable Bond Count.

What is the Exact Mass of Spiro-MeOTAD?

The Exact Mass of Spiro-MeOTAD is 1224.50371514 g/mol.

What is the Heavy Atom Count of Spiro-MeOTAD?

The Heavy Atom Count of Spiro-MeOTAD is 93.

When was Spiro-MeOTAD created and last modified according to the reference?

Spiro-MeOTAD was created on 2007-07-04 and last modified on 2023-12-30.