2-[9,9-Di(4-methylphenyl)-fluoren-2-yl]-9,9-di(4-methylphenyl)fluorene - ≥97%(HPLC) , CAS No.854046-47-2

CAS: 854046-47-2 Cat. No.: D289986

GRADE & PURITY ≥97%(HPLC)

Synonyms

DTXSID70694859 | MFCD12022450 | 2-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-bis(4-methylphenyl)fluorene | 2,2'-Bi-9H-fluorene,9,9,9',9'-tetrakis(4-methylphenyl)- | 9,9,9',9'-tetra-p-tolyl-9h,9'h-2,2'-bifluorene | Bis(9,9-diarylfluorene)s | 2,2'-Bi-9H-fluo

Storage

Room temperature

Specifications

Sinónimos

DTXSID70694859 | MFCD12022450 | 2-[9, 9-bis(4-methylphenyl)fluoren-2-yl]-9, 9-bis(4-methylphenyl)fluorene | 2, 2'-Bi-9H-fluorene, 9, 9, 9', 9'-tetrakis(4-methylphenyl)- | 9, 9, 9', 9'-tetra-p-tolyl-9h, 9'h-2, 2'-bifluorene | Bis(9, 9-diarylfluorene)s | 2, 2'-Bi-9H-fluo

Especificaciones y pureza

≥97%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥97%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CC1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)C5=CC6=C(C=C5)C7=CC=CC=C7C6(C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)C1=CC=C(C=C1)C
• IUPAC Name: 2-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-bis(4-methylphenyl)fluorene
• InChIKey: BIXGISJFDUHZEB-UHFFFAOYSA-N
• INCHI: 1S/C54H42/c1-35-13-23-41(24-14-35)53(42-25-15-36(2)16-26-42)49-11-7-5-9-45(49)47-31-21-39(33-51(47)53)40-22-32-48-46-10-6-8-12-50(46)54(52(48)34-40,43-27-17-37(3)18-28-43)44-29-19-38(4)20-30-44/h5-34H,1-4H3
• Isómeros SMILES: CC1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)C5=CC6=C(C=C5)C7=CC=CC=C7C6(C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)C1=CC=C(C=C1)C
• Reaxy-Rn: 10227900
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10227900&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Toluenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Toluene - Monocyclic benzene moiety - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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: 690.900 g/mol
• XLogP3: 14.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 690.329 Da
• Monoisotopic Mass: 690.329 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 54
• Formal Charge: 0
• Complexity: 1090.000
• 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

Referencias

1. Chunying Min, Yaxiang Su, Hang Yu, Hongyu Liang, Amna Siddique, Zhiwei Xu.  (2025)  Constructing the fluorine-containing structures for excellent tribological properties of degradable Poly(hexahydrotriazine)s.  POLYMER,      [PMID:] [10.1016/j.polymer.2025.128691]