11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-11,12-dihydroindolo[2,3-a]carbazole - ≥99% , CAS No.1024598-01-3

CAS: 1024598-01-3 Cat. No.: D493800 Molecular Weight: 563.65

GRADE & PURITY ≥99%

Synonyms

DIC-TRZ

Storage

Argon charged,Room temperature

Specifications

Synonyms

DIC-TRZ

Specifications & Purity

≥99%

Storage

Argon charged, Room temperature

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488201973
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201973
• Canonical Smiles: C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=CC=CC=C4C5=C3C6=C(C=C5)C7=CC=CC=C7N6C8=CC=CC=C8)C9=CC=CC=C9
• IUPAC Name: 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
• InChIKey: VBJWDGGEJNGTET-UHFFFAOYSA-N
• INCHI: 1S/C39H25N5/c1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28/h1-25H
• Isomeric SMILES: C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=CC=CC=C4C5=C3C6=C(C=C5)C7=CC=CC=C7N6C8=CC=CC=C8)C9=CC=CC=C9
• Molecular Weight: 563.65
• Reaxy-Rn: 19372182
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19372182&ln=

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: Pyrrolo[2,3-a]carbazoles Pyrroloindoles Phenylpyrroles Indoles Aminotriazines Benzene and substituted derivatives 1,3,5-triazines Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolocarbazole - Pyrrolo[2,3-a]carbazole - Pyrroloindole - 1-phenylpyrrole - Indole - Amino-1,3,5-triazine - Monocyclic benzene moiety - 1,3,5-triazine - Substituted pyrrole - Triazine - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - 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: 563.600 g/mol
• XLogP3: 9.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 563.211 Da
• Monoisotopic Mass: 563.211 Da
• Topological Polar Surface Area: 48.500 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 928.000
• 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