3-Iodo-9-phenylcarbazole - ≥99% , CAS No.502161-03-7

CAS: 502161-03-7 Cat. No.: I395815 Molecular Weight: 369.21 EC Number: 808-151-1

GRADE & PURITY ≥99%

Synonyms

AM9749 | A21216 | AC-22297 | FD14047 | FT-0651616 | C18H12IN | J-512696 | SY029807 | MFCD09261276 | PJUAIXDOXUXBDR-UHFFFAOYSA-N | DTXSID40473310 | I0913 | OL10023 | 3-iodo-9-phenyl-9H-carbazole | 3-Iodo-9-phenyl-9H-carbazol | 3-IODO-N-PHENYLCARBAZOLE | 3-

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

AM9749 | A21216 | AC-22297 | FD14047 | FT-0651616 | C18H12IN | J-512696 | SY029807 | MFCD09261276 | PJUAIXDOXUXBDR-UHFFFAOYSA-N | DTXSID40473310 | I0913 | OL10023 | 3-iodo-9-phenyl-9H-carbazole | 3-Iodo-9-phenyl-9H-carbazol | 3-IODO-N-PHENYLCARBAZOLE | 3-

Specifications & Purity

≥99%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504766754
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766754
• Canonical Smiles: C1=CC=C(C=C1)N2C3=C(C=C(C=C3)I)C4=CC=CC=C42
• IUPAC Name: 3-iodo-9-phenylcarbazole
• InChIKey: PJUAIXDOXUXBDR-UHFFFAOYSA-N
• INCHI: 1S/C18H12IN/c19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-12H
• Isomeric SMILES: C1=CC=C(C=C1)N2C3=C(C=C(C=C3)I)C4=CC=CC=C42
• Molecular Weight: 369.21
• Reaxy-Rn: 9269252
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9269252&ln=

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 Indoles Benzene and substituted derivatives Aryl iodides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - 1-phenylpyrrole - Indole - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Heteroaromatic compound - Pyrrole - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organohalogen compound - Organic nitrogen compound - Organopnictogen 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

Chemical and Physical Properties

• Sensitivity: light sensitive
• Melt Point(°C): 106 °C
• Molecular Weight: 369.200 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 369.001 Da
• Monoisotopic Mass: 369.001 Da
• Topological Polar Surface Area: 4.900 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 338.000
• 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