Triphenylethylene - ≥98% , CAS No.58-72-0

CAS: 58-72-0 Cat. No.: T162361 Formula: C₂₀H₁₆ Molecular Weight: 256.35 Beilstein Registry Number: 1867460 EC Number: 200-395-1 PubChem CID: 6025

GRADE & PURITY ≥98%

Synonyms

SY048481 | Tox21_302425 | Triphenylethylene, 99% | Benzilidenediphenylmethane | DTXCID402320 | DTXSID3022320 | 1,2,2-Triphenylethylene | 1,1,2-triphenylethene | UNII-S4ZLZ1K74B | S4ZLZ1K74B | Ethylene, triphenyl- | Q25100760 | (1,2-diphenylethenyl)benzene

Storage

Room temperature

Shipped In

Normal

Overview

Triphenylethylene is an aromatic hydrocarbon, which can be used as a starting material to prepare 2,2,3-triphenyloxirane by asymmetric epoxidation reaction using fluorous chiral manganese complex as a catalyst. It is also used to prepare dihydro-4,5,5-triphenyl-2(3H)-furanone by reacting with acetic anhydride in the presence of MnO2 and NaOAc.

Specifications

Synonyms

SY048481 | Tox21_302425 | Triphenylethylene, 99% | Benzilidenediphenylmethane | DTXCID402320 | DTXSID3022320 | 1,2,2-Triphenylethylene | 1,1,2-triphenylethene | UNII-S4ZLZ1K74B | S4ZLZ1K74B | Ethylene, triphenyl- | Q25100760 | (1,2-diphenylethenyl)benzene

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

Pubchem Sid

488179987

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179987

Canonical Smiles

C1=CC=C(C=C1)C=C(C2=CC=CC=C2)C3=CC=CC=C3

IUPAC Name

1,2-diphenylethenylbenzene

InChIKey

MKYQPGPNVYRMHI-UHFFFAOYSA-N

INCHI

1S/C20H16/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H

Isomeric SMILES

C1=CC=C(C=C1)C=C(C2=CC=CC=C2)C3=CC=CC=C3

WGK Germany

3

RTECS

KX4920000

PubChem CID

6025

Molecular Weight

256.35

Beilstein

1867460

Reaxy-Rn

1867462

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Diphenylmethanes Styrenes Aromatic hydrocarbons Branched unsaturated hydrocarbons Cyclic olefins
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Diphenylmethane - Styrene - Benzenoid - Monocyclic benzene moiety - Aromatic hydrocarbon - Branched unsaturated hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homomonocyclic compound
• Description: 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: stilbenoid

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

Mechanisms of Action

Chemical and Physical Properties

• x_melt_point_char: 68-72 °C
• Molecular Weight: 256.300 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 256.125 Da
• Monoisotopic Mass: 256.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 276.000
• 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