5,12-Dihydroindolo[3,2-a]carbazole - ≥97% , CAS No.111296-91-4

CAS: 111296-91-4 Cat. No.: D586381 Molecular Weight: 256.30

GRADE & PURITY ≥97%

Synonyms

DTXSID80405771 | MFCD22200776 | 5H,12H-INDOLO[3,2-C]CARBAZOLE | PD183058 | AKOS016009131 | AC-33534 | Indolo[3,2-]arbazole, 5,12-ihydro- | Indolo[3,2-a]carbazole, 5,12-dihydro- | SCHEMBL224017 | 5,12-dihydroindolo[3,2-c]carbazole | AS-59751 | 5H,12H-Indol

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

DTXSID80405771 | MFCD22200776 | 5H, 12H-INDOLO[3, 2-C]CARBAZOLE | PD183058 | AKOS016009131 | AC-33534 | Indolo[3, 2-]arbazole, 5, 12-ihydro- | Indolo[3, 2-a]carbazole, 5, 12-dihydro- | SCHEMBL224017 | 5, 12-dihydroindolo[3, 2-c]carbazole | AS-59751 | 5H, 12H-Indol

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)C3=C(N2)C4=C(C=C3)NC5=CC=CC=C54
• IUPAC Name: 5,12-dihydroindolo[3,2-c]carbazole
• InChIKey: QQWXDAWSMPLECU-UHFFFAOYSA-N
• INCHI: 1S/C18H12N2/c1-3-7-14-11(5-1)12-9-10-16-17(18(12)20-14)13-6-2-4-8-15(13)19-16/h1-10,19-20H
• Isomeric SMILES: C1=CC=C2C(=C1)C3=C(N2)C4=C(C=C3)NC5=CC=CC=C54
• Molecular Weight: 256.30
• Reaxy-Rn: 21308
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21308&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: Pyrroloindoles Indoles Benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolocarbazole - Pyrroloindole - 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 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 256.300 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 256.1 Da
• Monoisotopic Mass: 256.1 Da
• Topological Polar Surface Area: 31.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 382.000
• 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