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

CAS: 207739-72-8 Cat. No.: S432309 Summenformel: C₈₁H₆₈N₄O₈ Molekulargewicht: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥99%(HPLC)

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99%(HPLC)

Namen und Kennungen

• Pubchem Sid: 508816549
• Kanonisches Lächeln: 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
• Isomere SMILES: 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
• Molekulargewicht: 1225.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Amines
        • Ebene5 Tertiary amines
          • Ebene6 Triarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 243-248 ℃
• Molekulargewicht: 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