9-(4-tert-Butylphenyl)-9H-carbazole - ≥98%(HPLC) , CAS No.57103-13-6

CAS: 57103-13-6 Cat. No.: T290387 Molecular Weight: 299.42 EC Number: 833-582-7 PubChem CID: 20688189

GRADE & PURITY ≥98%(HPLC)

Synonyms

T71075 | WCKADLRYWIXOEW-UHFFFAOYSA-N | 9-(4-tert-Butylphenyl)carbazole | 9-(4-tert-butyl-phenyl)-carbazole | B5620 | MFCD31618114 | 9-[4-(tert-Butyl)phenyl]-9H-carbazole | 9H-Carbazole, 9-[4-(1,1-dimethylethyl)phenyl]- | 9-(4-(Tert-butyl)phenyl)-9H-carbaz

Storage

Room temperature

Specifications

Synonyms

T71075 | WCKADLRYWIXOEW-UHFFFAOYSA-N | 9-(4-tert-Butylphenyl)carbazole | 9-(4-tert-butyl-phenyl)-carbazole | B5620 | MFCD31618114 | 9-[4-(tert-Butyl)phenyl]-9H-carbazole | 9H-Carbazole, 9-[4-(1, 1-dimethylethyl)phenyl]- | 9-(4-(Tert-butyl)phenyl)-9H-carbaz

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488199813
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199813
• Canonical Smiles: CC(C)(C)C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC=CC=C42
• IUPAC Name: 9-(4-tert-butylphenyl)carbazole
• InChIKey: WCKADLRYWIXOEW-UHFFFAOYSA-N
• INCHI: 1S/C22H21N/c1-22(2,3)16-12-14-17(15-13-16)23-20-10-6-4-8-18(20)19-9-5-7-11-21(19)23/h4-15H,1-3H3
• Isomeric SMILES: CC(C)(C)C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC=CC=C42
• PubChem CID: 20688189
• Molecular Weight: 299.42

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: Phenylpyrroles Phenylpropanes Indoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - 1-phenylpyrrole - Phenylpropane - Indole - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 191 °C
• Molecular Weight: 299.400 g/mol
• XLogP3: 6.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 299.167 Da
• Monoisotopic Mass: 299.167 Da
• Topological Polar Surface Area: 4.900 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 379.000
• 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