2,4,6-Tris(m-terphenyl-5'-yl)boroxin - ≥95%(HPLC) , CAS No.909407-14-3

CAS: 909407-14-3 Cat. No.: T162617 Molecular Weight: 768.33 PubChem CID: 44630523

GRADE & PURITY ≥95%(HPLC)

Synonyms

2,4,6-Tris(m-terphenyl-5'-yl)boroxin|909407-14-3|2,4,6-tris(3,5-diphenylphenyl)-1,3,5,2,4,6-trioxatriborinane|(m-Terphenyl-5'-yl)boronic Anhydride|DTXSID40659955|(m-terphenyl-5-yl)boronic anhydride|Tris(m-terphenyl-5'-yl)cyclotriboroxane|T1887|D92540|2,4,

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2, 4, 6-Tris(m-terphenyl-5'-yl)boroxin | 909407-14-3 | 2, 4, 6-tris(3, 5-diphenylphenyl)-1, 3, 5, 2, 4, 6-trioxatriborinane | (m-Terphenyl-5'-yl)boronic Anhydride | DTXSID40659955 | (m-terphenyl-5-yl)boronic anhydride | Tris(m-terphenyl-5'-yl)cyclotriboroxane | T1887 | D92540 | 2, 4,

Specifications & Purity

≥95%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥95%(HPLC)

Names and Identifiers

• Canonical Smiles: B1(OB(OB(O1)C2=CC(=CC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC(=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC(=CC(=C8)C9=CC=CC=C9)C1=CC=CC=C1
• IUPAC Name: 2,4,6-tris(3,5-diphenylphenyl)-1,3,5,2,4,6-trioxatriborinane
• InChIKey: MWZSDMFLGCWWSC-UHFFFAOYSA-N
• INCHI: 1S/C54H39B3O3/c1-7-19-40(20-8-1)46-31-47(41-21-9-2-10-22-41)35-52(34-46)55-58-56(53-36-48(42-23-11-3-12-24-42)32-49(37-53)43-25-13-4-14-26-43)60-57(59-55)54-38-50(44-27-15-5-16-28-44)33-51(39-54)45-29-17-6-18-30-45/h1-39H
• Isomeric SMILES: B1(OB(OB(O1)C2=CC(=CC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC(=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC(=CC(=C8)C9=CC=CC=C9)C1=CC=CC=C1
• PubChem CID: 44630523
• Molecular Weight: 768.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Terphenyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Terphenyls
• Intermediate Tree Nodes: Not available
• Direct Parent: M-terphenyls
• Alternative Parents: Biphenyls and derivatives Organoboroxines Boronic acid derivatives Oxacyclic compounds Organic metalloid salts Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Meta-terphenyl - Biphenyl - Organoboroxine - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic metalloid moeity - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as m-terphenyls. These are terphenyls with a structure containing the 1,3-diphenylbenzene skeleton.
• 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

Chemical and Physical Properties

• Molecular Weight: 768.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 768.318 Da
• Monoisotopic Mass: 768.318 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 60
• Formal Charge: 0
• Complexity: 1020.000
• 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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