4′,4′′′′-(1,4-Phenylene)bis(2,2′:6′,2′′-terpyridine) - ≥96% , CAS No.146406-75-9

CAS: 146406-75-9 Cat. No.: P123376 Peso molecular: 540.62 Número EC: 634-306-6

GRADE & PURITY ≥96%

Synonyms

J-400428 | B4194 | 1,4-Di[[2,2':6',2''-terpyridin]-4'-yl]benzene | AKOS015914696 | 1,4-bis(2,2':6',2''-terpyridin-4'-yl)benzene | DTXSID80408363 | 1,4-Di([2,2':6',2''-terpyridin]-4'-yl)benzene | 4',4''''-(1,4-Phenylene)bis(2,2':6',2''-terpyridine) | A8557

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

J-400428 | B4194 | 1, 4-Di[[2, 2':6', 2''-terpyridin]-4'-yl]benzene | AKOS015914696 | 1, 4-bis(2, 2':6', 2''-terpyridin-4'-yl)benzene | DTXSID80408363 | 1, 4-Di([2, 2':6', 2''-terpyridin]-4'-yl)benzene | 4', 4''''-(1, 4-Phenylene)bis(2, 2':6', 2''-terpyridine) | A8557

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)C5=CC(=NC(=C5)C6=CC=CC=N6)C7=CC=CC=N7
• IUPAC Name: 4-[4-(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine
• InChIKey: NXMHYAQTBVTLRK-UHFFFAOYSA-N
• INCHI: 1S/C36H24N6/c1-5-17-37-29(9-1)33-21-27(22-34(41-33)30-10-2-6-18-38-30)25-13-15-26(16-14-25)28-23-35(31-11-3-7-19-39-31)42-36(24-28)32-12-4-8-20-40-32/h1-24H
• Isómeros SMILES: C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)C5=CC(=NC(=C5)C6=CC=CC=N6)C7=CC=CC=N7
• WGK Alemania: 3
• Peso molecular: 540.62
• Reaxy-Rn: 1192554
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1192554&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Bipyridines and oligopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Bipyridines and oligopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyridines and oligopyridines
• Alternative Parents: Phenylpyridines Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-phenylpyridine - Bipyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
• 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

• Punto de fusión (°C): 340°C
• Peso molecular: 540.600 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 540.206 Da
• Monoisotopic Mass: 540.206 Da
• Topological Polar Surface Area: 77.300 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 697.000
• 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