4,4'-Di(triphenylsilyl)-biphenyl - sublimed grade, ≥99% , CAS No.18826-13-6

CAS: 18826-13-6 Cat. No.: D290116

GRADE & PURITY Sublimed grade, ≥99%

Synonyms

18826-13-6|4,4'-BIS(TRIPHENYLSILYL)-1,1'-BIPHENYL|triphenyl-[4-(4-triphenylsilylphenyl)phenyl]silane|4,4/'-Bis(triphenylsilyl)-1,1/'-biphenyl|4,4'-Di(triphenylsilyl)-biphenyl|NSC168712|DTXSID70304986|AKOS024433505|NSC-168712|CS-0378753|([1,1'-Biphenyl]-4,

Storage

Room temperature

Specifications

Sinónimos

18826-13-6 | 4, 4'-BIS(TRIPHENYLSILYL)-1, 1'-BIPHENYL | triphenyl-[4-(4-triphenylsilylphenyl)phenyl]silane | 4, 4/'-Bis(triphenylsilyl)-1, 1/'-biphenyl | 4, 4'-Di(triphenylsilyl)-biphenyl | NSC168712 | DTXSID70304986 | AKOS024433505 | NSC-168712 | CS-0378753 | ([1, 1'-Biphenyl]-4,

Especificaciones y pureza

sublimed grade, ≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Sublimed grade

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8
• IUPAC Name: triphenyl-[4-(4-triphenylsilylphenyl)phenyl]silane
• InChIKey: LNQMQGXHWZCRFZ-UHFFFAOYSA-N
• INCHI: 1S/C48H38Si2/c1-7-19-41(20-8-1)49(42-21-9-2-10-22-42,43-23-11-3-12-24-43)47-35-31-39(32-36-47)40-33-37-48(38-34-40)50(44-25-13-4-14-26-44,45-27-15-5-16-28-45)46-29-17-6-18-30-46/h1-38H
• Isómeros SMILES: C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8
• Reaxy-Rn: 2929485
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2929485&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Organic metalloid salts Organosilicon compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Organic metalloid salt - Hydrocarbon derivative - Organic salt - Organosilicon compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C 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: 671.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 670.251 Da
• Monoisotopic Mass: 670.251 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 50
• Formal Charge: 0
• Complexity: 797.000
• 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

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