2,9-Bis(naphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline - sublimed grade, ≥99%(HPLC) , CAS No.1174006-43-9

CAS: 1174006-43-9 Cat. No.: N290216

GRADE & PURITY Sublimed grade, ≥99%(HPLC)

Synonyms

1174006-43-9|2,9-BIS(NAPHTHALEN-2-YL)-4,7-DIPHENYL-1,10-PHENANTHROLINE|Nbphen|2,9-di(naphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline|2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline|SCHEMBL184973|DTXSID60695173|MFCD12022443|AKOS025146888|OL10166|S

Storage

Room temperature

Specifications

Sinónimos

1174006-43-9 | 2, 9-BIS(NAPHTHALEN-2-YL)-4, 7-DIPHENYL-1, 10-PHENANTHROLINE | Nbphen | 2, 9-di(naphthalen-2-yl)-4, 7-diphenyl-1, 10-phenanthroline | 2, 9-dinaphthalen-2-yl-4, 7-diphenyl-1, 10-phenanthroline | SCHEMBL184973 | DTXSID60695173 | MFCD12022443 | AKOS025146888 | OL10166 | S

Especificaciones y pureza

sublimed grade, ≥99%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Sublimed grade

Pureza

≥99%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)C2=CC(=NC3=C2C=CC4=C3N=C(C=C4C5=CC=CC=C5)C6=CC7=CC=CC=C7C=C6)C8=CC9=CC=CC=C9C=C8
• IUPAC Name: 2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline
• InChIKey: XESMNQMWRSEIET-UHFFFAOYSA-N
• INCHI: 1S/C44H28N2/c1-3-13-31(14-4-1)39-27-41(35-21-19-29-11-7-9-17-33(29)25-35)45-43-37(39)23-24-38-40(32-15-5-2-6-16-32)28-42(46-44(38)43)36-22-20-30-12-8-10-18-34(30)26-36/h1-28H
• Isómeros SMILES: C1=CC=C(C=C1)C2=CC(=NC3=C2C=CC4=C3N=C(C=C4C5=CC=CC=C5)C6=CC7=CC=CC=C7C=C6)C8=CC9=CC=CC=C9C=C8
• Reaxy-Rn: 18307232
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18307232&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthylquinolines
• Alternative Parents: Phenanthrolines Phenylpyridines Naphthalenes Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthylquinoline - 1,10-phenanthroline - 4-phenylpyridine - Naphthalene - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthylquinolines. These are polycyclic aromatic compounds containing a naphthene moiety linked to a quinoline through a CC or CN single bond.
• 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

Propiedades químicas y físicas

• Peso molecular: 584.700 g/mol
• XLogP3: 11.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 584.225 Da
• Monoisotopic Mass: 584.225 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 902.000
• 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