DMAC-DPS - sublimed grade , CAS No.1477512-32-5

CAS: 1477512-32-5 Cat. No.: D432139 分子式: C₄₂H₃₆N₂O₂S 分子量: 632.81

GRADE & PURITY Sublimed grade

Synonyms

10,10′-(4,4′-Sulfonylbis(4,1-phenylene))bis(9,9-dimethyl-9,10-dihydroacridine)

Storage

Room temperature

概要

Thermally activated delayed fluorescent (TADF) blue dopant.

Specifications

同義語

10,10′-(4,4′-Sulfonylbis(4,1-phenylene))bis(9,9-dimethyl-9,10-dihydroacridine)

仕様と純度

sublimed grade

保管条件

Room temperature

等級

昇華プリント用グレード

名前と識別子

• カノニカル・スマイル: CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)C5=CC=C(C=C5)N6C7=CC=CC=C7C(C8=CC=CC=C86)(C)C)C
• IUPAC Name: 10-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]sulfonylphenyl]-9,9-dimethylacridine
• InChIKey: CYPVTICNYNXTQP-UHFFFAOYSA-N
• INCHI: 1S/C42H36N2O2S/c1-41(2)33-13-5-9-17-37(33)43(38-18-10-6-14-34(38)41)29-21-25-31(26-22-29)47(45,46)32-27-23-30(24-28-32)44-39-19-11-7-15-35(39)42(3,4)36-16-8-12-20-40(36)44/h5-28H,1-4H3
• 異性体SMILES: CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)C5=CC=C(C=C5)N6C7=CC=CC=C7C(C8=CC=CC=C86)(C)C)C
• 分子量: 632.81
• Reaxy-Rn: 27987737
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27987737&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Triarylamines Acridines Benzenesulfonyl compounds Aniline and substituted anilines Sulfones Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - Tertiary aromatic amine - Acridine - Benzoquinoline - Benzenesulfonyl group - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Sulfonyl - Sulfone - Tertiary amine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
• 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

化学的性質と物理的性質

• 分子量: 632.800 g/mol
• XLogP3: 10.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 632.25 Da
• Monoisotopic Mass: 632.25 Da
• Topological Polar Surface Area: 49.000 Ų
• Heavy Atom Count: 47
• Formal Charge: 0
• Complexity: 1050.000
• 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