3-(tert-Butyl)-9H-carbazole - ≥95% , CAS No.22401-74-7

CAS: 22401-74-7 Cat. No.: T161623 Molecular Weight: 223.32 EC Number: 834-253-0 PubChem CID: 12117342

GRADE & PURITY ≥95%

Synonyms

3-tert-butyl-9H-carbazole | BDBM50322591 | SCHEMBL10090582 | 3-tert-Butylcarbazole | AVF2AGH99B | 9H-Carbazole, 3-(1,1-dimethylethyl)- | SY055856 | T70592 | DTXSID30477842 | B5053 | XAA40174 | MFCD12024281 | 3-(tert-Butyl)-9H-carbazole | AKOS030561970 | A

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

3-tert-butyl-9H-carbazole | BDBM50322591 | SCHEMBL10090582 | 3-tert-Butylcarbazole | AVF2AGH99B | 9H-Carbazole, 3-(1, 1-dimethylethyl)- | SY055856 | T70592 | DTXSID30477842 | B5053 | XAA40174 | MFCD12024281 | 3-(tert-Butyl)-9H-carbazole | AKOS030561970 | A

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488197891
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197891
• Canonical Smiles: CC(C)(C)C1=CC2=C(C=C1)NC3=CC=CC=C32
• IUPAC Name: 3-tert-butyl-9H-carbazole
• InChIKey: TYXSZNGDCCGIBO-UHFFFAOYSA-N
• INCHI: 1S/C16H17N/c1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17-15/h4-10,17H,1-3H3
• Isomeric SMILES: CC(C)(C)C1=CC2=C(C=C1)NC3=CC=CC=C32
• PubChem CID: 12117342
• Molecular Weight: 223.32
• Reaxy-Rn: 1642096

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: Indoles Benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - Indole - Benzenoid - 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

Associated Targets(Human)

KIF11 Tchem Kinesin-like protein KIF11 (1 Activities)

Discover Target: KIF11

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HeLa (62764 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 153 °C
• Molecular Weight: 223.310 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 223.136 Da
• Monoisotopic Mass: 223.136 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 278.000
• 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