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

CAS: 1477512-32-5 Cat. No.: D432139 분자식: C₄₂H₃₆N₂O₂S 분자량: 632.81

등급 & 순도 Sublimed grade

Synonyms

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

Storage

Room temperature

개요

Thermally activated delayed fluorescent (TADF) blue dopant.

사양

동의어

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

사양 및 순도

sublimed grade

보관 조건

Room temperature

등급

승화 등급

이름과 식별자

정식 스마일

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

이성체 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

분자량

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
    • 분류 Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 분자량: 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