2,6-Bis(diphenylamino)anthraquinone - ≥96% , CAS No.868850-50-4

CAS: 868850-50-4 Cat. No.: B153131 Molecular Weight: 542.64

GRADE & PURITY ≥96%

Synonyms

B5092 | DTXSID90730627 | MFCD20040460 | FT-0735367 | 2,6-Bis-(diphenylamino)-9,10-anthracenedione | 9,10-Anthracenedione, 2,6-bis(diphenylamino)- | A922597 | SB66672 | AS-18641 | n,n,n',n'-tetraphenyl-2,6-diamino-9,10-anthracenedione | 2,6-Bis(diphenylami

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

B5092 | DTXSID90730627 | MFCD20040460 | FT-0735367 | 2, 6-Bis-(diphenylamino)-9, 10-anthracenedione | 9, 10-Anthracenedione, 2, 6-bis(diphenylamino)- | A922597 | SB66672 | AS-18641 | n, n, n', n'-tetraphenyl-2, 6-diamino-9, 10-anthracenedione | 2, 6-Bis(diphenylami

Specifications & Purity

≥96%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488201954
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201954
• Canonical Smiles: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)C(=O)C5=C(C4=O)C=CC(=C5)N(C6=CC=CC=C6)C7=CC=CC=C7
• IUPAC Name: 2,6-bis(N-phenylanilino)anthracene-9,10-dione
• InChIKey: TZENEWLXCXPNFX-UHFFFAOYSA-N
• INCHI: 1S/C38H26N2O2/c41-37-34-24-22-32(40(29-17-9-3-10-18-29)30-19-11-4-12-20-30)26-36(34)38(42)33-23-21-31(25-35(33)37)39(27-13-5-1-6-14-27)28-15-7-2-8-16-28/h1-26H
• Isomeric SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)C(=O)C5=C(C4=O)C=CC(=C5)N(C6=CC=CC=C6)C7=CC=CC=C7
• Molecular Weight: 542.64
• Reaxy-Rn: 19130280
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19130280&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-aminoanthraquinones
• Alternative Parents: Triarylamines Aryl ketones Aniline and substituted anilines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-aminoanthraquinone - Tertiary aromatic amine - Aniline or substituted anilines - Aryl ketone - Monocyclic benzene moiety - Tertiary amine - Ketone - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-aminoanthraquinones. These are organic compounds containing an anthraquinone ring system, which is substituted at the 2-position by an amino 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

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Moisture Sensitive,Heat Sensitive
• Molecular Weight: 542.600 g/mol
• XLogP3: 9.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 542.199 Da
• Monoisotopic Mass: 542.199 Da
• Topological Polar Surface Area: 40.600 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 800.000
• 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