5,11-Diphenyl-5,11-dihydroindolo[3,2-b]carbazole - ≥97% , CAS No.58328-30-6

CAS: 58328-30-6 Cat. No.: D991946 Molecular Weight: 408.5 PubChem CID: 12220806

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5=C(C=C42)C6=CC=CC=C6N5C7=CC=CC=C7
• IUPAC Name: 5,11-diphenylindolo[3,2-b]carbazole
• InChIKey: WKAHKYDYDUMBRW-UHFFFAOYSA-N
• INCHI: 1S/C30H20N2/c1-3-11-21(12-4-1)31-27-17-9-7-15-23(27)25-20-30-26(19-29(25)31)24-16-8-10-18-28(24)32(30)22-13-5-2-6-14-22/h1-20H
• Isomeric SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5=C(C=C42)C6=CC=CC=C6N5C7=CC=CC=C7
• PubChem CID: 12220806
• Molecular Weight: 408.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Carbazoles
        • Level5 Pyrrolocarbazoles
          • Level6 Indolocarbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Pyrrolocarbazoles
• Direct Parent: Indolocarbazoles
• Alternative Parents: Phenylpyrroles Indoles Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolocarbazole - 1-phenylpyrrole - 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 indolocarbazoles. These are polycyclic aromatic compounds containing an indole fused to a carbazole.
• 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: 408.500 g/mol
• XLogP3: 8.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 408.163 Da
• Monoisotopic Mass: 408.163 Da
• Topological Polar Surface Area: 9.900 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 593.000
• 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