1,3,6,8(2H,7H)-Tetraone, 2,7-dicyclohexylbenzo[lmn][3,8]phenanthroline - ≥98% , CAS No.173409-43-3

CAS: 173409-43-3 Cat. No.: H432223 Número EC: 803-107-8

GRADE & PURITY ≥98%

Synonyms

STL575186 | 6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone | NDICHex | 1,3,6,8(2H,7H)-Tetraone, 2,7-dicyclohexylbenzo[lmn][3,8]phenanthroline | 2,7-Dicyclohexylbenzo[lmn][3,8]phenanthroline

Storage

Room temperature

Descripción general

1,3,6,8(2 H ,7 H )-Tetraone, 2,7-dicyclohexylbenzo[ lmn ][3,8]phenanthroline (NDI-cy6) is a naphthalene-diimide based polymeric semiconducting material. It forms an n-type conductive layer that facilitates the conjugating system with electron mobility of 12 cm 2 V -1 s -1 .

Application

NDI-cy6 can be used as an electron transporting layer for the development of organic electronic devices which include organic field effect transistors (OFETs) and thin film transistors (TFTs).

Specifications

Sinónimos

STL575186 | 6, 13-dicyclohexyl-6, 13-diazatetracyclo[6.6.2.04, 16.011, 15]hexadeca-1(15), 2, 4(16), 8, 10-pentaene-5, 7, 12, 14-tetrone | NDICHex | 1, 3, 6, 8(2H, 7H)-Tetraone, 2, 7-dicyclohexylbenzo[lmn][3, 8]phenanthroline | 2, 7-Dicyclohexylbenzo[lmn][3, 8]phenanthroline

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CCC(CC1)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)C6CCCCC6)C2=O
• IUPAC Name: 6,13-dicyclohexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
• InChIKey: XWDVNWORIROXKG-UHFFFAOYSA-N
• INCHI: 1S/C26H26N2O4/c29-23-17-11-13-19-22-20(26(32)28(25(19)31)16-9-5-2-6-10-16)14-12-18(21(17)22)24(30)27(23)15-7-3-1-4-8-15/h11-16H,1-10H2
• Isómeros SMILES: C1CCC(CC1)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)C6CCCCC6)C2=O
• Reaxy-Rn: 8296786
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8296786&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: Isoquinolones and derivatives Naphthalenes Pyridinones Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Bipyridine - Isoquinolone - Isoquinoline - Naphthalene - Pyridinone - Benzenoid - Heteroaromatic compound - Lactam - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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

• Peso molecular: 430.500 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 430.189 Da
• Monoisotopic Mass: 430.189 Da
• Topological Polar Surface Area: 74.800 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 712.000
• 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