9-Phenyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole - ≥96% , CAS No.1035631-57-2

CAS: 1035631-57-2 Cat. No.: P404919 Peso molecular: 495.23 Número EC: 833-834-6 PubChem CID: 90297524

GRADE & PURITY ≥96%

Synonyms

T71541 | 9-phenyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2- di oxaborolan-2-yl)-9H-Carbazole | 9-phenyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole | 1035631-57-2 | BLKLIQJTGNDTOL-UHFFFAOYSA-N | MFCD31618151 | 9-phenyl-2,7-bis(4,4,5,5-tetra

Storage

Room temperature

Specifications

Sinónimos

T71541 | 9-phenyl-2, 7-bis(4, 4, 5, 5-tetramethyl-1, 3, 2- di oxaborolan-2-yl)-9H-Carbazole | 9-phenyl-2, 7-bis(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)-9H-carbazole | 1035631-57-2 | BLKLIQJTGNDTOL-UHFFFAOYSA-N | MFCD31618151 | 9-phenyl-2, 7-bis(4, 4, 5, 5-tetra

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 488202494
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202494
• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(N3C5=CC=CC=C5)C=C(C=C4)B6OC(C(O6)(C)C)(C)C
• IUPAC Name: 9-phenyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
• InChIKey: BLKLIQJTGNDTOL-UHFFFAOYSA-N
• INCHI: 1S/C30H35B2NO4/c1-27(2)28(3,4)35-31(34-27)20-14-16-23-24-17-15-21(32-36-29(5,6)30(7,8)37-32)19-26(24)33(25(23)18-20)22-12-10-9-11-13-22/h9-19H,1-8H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(N3C5=CC=CC=C5)C=C(C=C4)B6OC(C(O6)(C)C)(C)C
• PubChem CID: 90297524
• Peso molecular: 495.23
• Reaxy-Rn: 27180462

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: Phenylpyrroles Indoles Benzene and substituted derivatives Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - 1-phenylpyrrole - Indole - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Boronic acid ester - 1,3,2-dioxaborolane - Heteroaromatic compound - Pyrrole - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• 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

• Punto de fusión (°C): 238 °C
• Peso molecular: 495.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 495.275 Da
• Monoisotopic Mass: 495.275 Da
• Topological Polar Surface Area: 41.900 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 765.000
• 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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