5-Phenyl-5,8-dihydroindolo[2,3-c]carbazole - ≥98% , CAS No.1637752-63-6

CAS: 1637752-63-6 Cat. No.: P587542 Molecular Weight: 332.4 PubChem CID: 118509099

GRADE & PURITY ≥98%

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Specifications & Purity

≥98%

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504772871
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772871
• Canonical Smiles: C1=CC=C(C=C1)N2C3=C(C4=CC=CC=C42)C5=C(C=C3)NC6=CC=CC=C65
• IUPAC Name: 9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• InChIKey: NDGWKRXBXFUTMQ-UHFFFAOYSA-N
• INCHI: 1S/C24H16N2/c1-2-8-16(9-3-1)26-21-13-7-5-11-18(21)24-22(26)15-14-20-23(24)17-10-4-6-12-19(17)25-20/h1-15,25H
• Isomeric SMILES: C1=CC=C(C=C1)N2C3=C(C4=CC=CC=C42)C5=C(C=C3)NC6=CC=CC=C65
• PubChem CID: 118509099
• Molecular Weight: 332.4

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: Tryptamines and derivatives Indoles Benzene and substituted derivatives Pyrrolines Pyrroles Heteroaromatic compounds Trialkylamines Enamines Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolocarbazole - Triptan - Indole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrroline - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Enamine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - 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: 332.400 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 332.131 Da
• Monoisotopic Mass: 332.131 Da
• Topological Polar Surface Area: 20.700 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 512.000
• 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