Tetrakis(4-hydroxyphenyl)ethylene - ≥97% , CAS No.119301-59-6

CAS: 119301-59-6 Cat. No.: T162784 Peso molecular: 396.44 PubChem CID: 10200771

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488196585
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196585
• Sonrisas canónicas: C1=CC(=CC=C1C(=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)O
• IUPAC Name: 4-[1,2,2-tris(4-hydroxyphenyl)ethenyl]phenol
• InChIKey: QQUZHNPGWNIYMK-UHFFFAOYSA-N
• INCHI: 1S/C26H20O4/c27-21-9-1-17(2-10-21)25(18-3-11-22(28)12-4-18)26(19-5-13-23(29)14-6-19)20-7-15-24(30)16-8-20/h1-16,27-30H
• Isómeros SMILES: C1=CC(=CC=C1C(=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)O
• PubChem CID: 10200771
• Peso molecular: 396.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Diphenylmethanes 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Diphenylmethane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

• Sensibilidad: Light Sensitive,Air Sensitive
• Punto de fusión (°C): 323°C(lit.)
• Peso molecular: 396.400 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 396.136 Da
• Monoisotopic Mass: 396.136 Da
• Topological Polar Surface Area: 80.900 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 458.000
• 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. Yewei Xu, Chi Zhong, Boyuan Zhang, Haoran Zhu, Yangqing Mao, Mingru Zhou, Min Zheng, Shuen Liang, Biao Kang, Ying Huang, Guanjun Chang.  (2023)  Facile preparation of tetraphenylethylene-based porous polymer with dual role of adsorption and detection for trinitrotoluene.  POLYMER,      [PMID:] [10.1016/j.polymer.2023.126454]

2. Wenjun Sun, Dehao He, Xueru Ren, Jiayin Li, Linghui Meng, Fang liu, Aiping Zheng.  (2025)  The self-fluorescence verification and intracellular imaging of nanocrystals imbedded with aggregation-induced emission luminescent materials.  INTERNATIONAL JOURNAL OF PHARMACEUTICS,      [PMID:40081432] [10.1016/j.ijpharm.2025.125461]

3. Chenxi Zhang, Chenlu He.  (2025)  Reversible thermochromism in violet-phase polydiacetylene derivatives triggered by ultraviolet photopolymerization.  PHYSICAL CHEMISTRY CHEMICAL PHYSICS,      [PMID:40985120] [10.1039/D5CP02612A]