Spiro-MeOTAD - ≥99%(HPLC) , CAS No.207739-72-8

CAS: 207739-72-8 Cat. No.: S432309 Fórmula: C₈₁H₆₈N₄O₈ Peso molecular: 1225.43 PubChem CID: 16161850

GRADE & PURITY ≥99%(HPLC)

Synonyms

N2,N2,N2 inverted exclamation mark ,N2 inverted exclamation mark ,N7,N7,N7 inverted exclamation mark ,N7 inverted exclamation mark -Octakis(4-methoxyphenyl)-9,9 inverted exclamation mark -spirobi[fluorene]-2,2 inverted exclamation mark ,7,7 inverted excla

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

General Description

We are committed to bringing you Greener Alternative Products,which adhere to one or more of The 12 Principles of Greener Chemistry. 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. Click here for more information.

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 TiO 2 film with pore size of around 30-50 nm; attributed to its small molecular size.

Specifications

Sinónimos

N2,N2,N2 inverted exclamation mark ,N2 inverted exclamation mark ,N7,N7,N7 inverted exclamation mark ,N7 inverted exclamation mark -Octakis(4-methoxyphenyl)-9,9 inverted exclamation mark -spirobi[fluorene]-2,2 inverted exclamation mark ,7,7 inverted excla

Especificações e pureza

≥99%(HPLC)

Aplicação

A high-mobility material for white OLEDs, designed to enhance hole injection and transport. Thanks to its small molecular size, it exhibits excellent pore-filling capabilities in nanoporous TiO₂ films with pore diameters of approximately 30–50 nm, making

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥99%(HPLC)

Nomes e identificadores

Pubchem Sid

508816549

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508816549

Sorrisos canónicos

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)C=C(C=C5)N(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC

IUPAC Name

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

InChIKey

XDXWNHPWWKGTKO-UHFFFAOYSA-N

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

SMILES isoméricas

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)C=C(C=C5)N(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC

PubChem CID

16161850

Peso molecular

1225.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Triarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Triarylamines
• Alternative Parents: Fluorenes Methoxyanilines Aminophenyl ethers Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tertiary aromatic amine - Fluorene - Aminophenyl ether - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as triarylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three aryl groups bonded to the amino nitrogen.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriedades químicas e físicas

• Ponto de fusão (°C): 243-248 ℃
• Peso molecular: 1225.400 g/mol
• XLogP3: 19.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 20
• Exact Mass: 1224.5 Da
• Monoisotopic Mass: 1224.5 Da
• Topological Polar Surface Area: 86.800 Ų
• Heavy Atom Count: 93
• Formal Charge: 0
• Complexity: 1830.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1