Poly[9,9-bis-(2-ethylhexyl)-9H-fluorene-2,7-diyl] - light-emitting λₑₘ 409 nm (in chloroform) , CAS No.188201-16-3

CAS: 188201-16-3 Cat. No.: P476393 Molecular Weight: 493.4 PubChem CID: 2430327

GRADE & PURITY light-emitting λₑₘ 409 nm (in chloroform)

Synonyms

Poly[9,9-di-(2′-ethylhexyl)fluorenyl-2,7-diyl]

Storage

Room temperature

Overview

Description

Poly[9,9-bis-(2-ethylhexyl)-9H-fluorene-2,7-diyl] (PFO) is a polyfluorene based conductive liquid crystalline material that can be used as a light emitting material. It forms a semiconducting layer to enhance the electroluminescence (EL) and performance of the photonic and optoelectronic devices.Light-emitting, conjugated polymer exhibiting blue photo- and electroluminescence.Organic Semiconductor Laser MaterialsPFO forms a π-conjugating polymeric system that can produce blue EL devices which include organic light emitting diodes (OLEDs), optical fibers and molecular electronic devices.

Specifications

Synonyms

Poly[9, 9-di-(2′-ethylhexyl)fluorenyl-2, 7-diyl]

Specifications & Purity

light-emitting λₑₘ 409 nm (in chloroform)

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)CN(C2=CC=C(C=C2)Cl)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)N)Cl
• IUPAC Name: (2-amino-2-oxoethyl) 3-[benzyl-(4-chlorophenyl)sulfamoyl]-4-chlorobenzoate
• InChIKey: UZIUTJBYUHKEGE-UHFFFAOYSA-N
• INCHI: 1S/C22H18Cl2N2O5S/c23-17-7-9-18(10-8-17)26(13-15-4-2-1-3-5-15)32(29,30)20-12-16(6-11-19(20)24)22(28)31-14-21(25)27/h1-12H,13-14H2,(H2,25,27)
• Isomeric SMILES: C1=CC=C(C=C1)CN(C2=CC=C(C=C2)Cl)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCC(=O)N)Cl
• PubChem CID: 2430327
• Molecular Weight: 493.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Sulfanilides 4-halobenzoic acids and derivatives Benzenesulfonamides Benzenesulfonyl compounds Benzoyl derivatives Chlorobenzenes Organosulfonamides Aryl chlorides Aminosulfonyl compounds Primary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Sulfanilide - Benzenesulfonyl group - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Primary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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

Associated Targets(Human)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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GMNN Tbio Geminin (128009 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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Associated Targets(non-human)

Cruzipain (33337 Activities)

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Plasmodium falciparum (966862 Activities)

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Npsr1 Neuropeptide S receptor (260 Activities)

Discover Target: Npsr1

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Mapt Microtubule-associated protein tau (6 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: THF: soluble; chloroform: soluble; toluene: soluble; xylene: soluble
• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Melt Point(°C): Tg(DSC) 45℃ (onset)