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Dibenzo[a,c]phenazine - ≥98%(HPLC)(qNMR), high purity , CAS No.215-64-5
Cas Number: 215-64-5
Molecular Weight: 280.3
PubChem CID:
9166
Basic Description
Specifications & Purity
≥98%(HPLC)(qNMR)
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Quinoxalines
Direct Parent
Phenazines and derivatives
Alternative Parents
Phenanthrenes and derivatives Naphthalenes Pyrazines Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenazine - Phenanthrene - Naphthalene - Benzenoid - Pyrazine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenazines and derivatives. These are polycyclic aromatic compounds containing a phenazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a pyrazine 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.
Names and Identifiers
IUPAC Name
phenanthro[9,10-b]quinoxaline
INCHI
InChI=1S/C20H12N2/c1-3-9-15-13(7-1)14-8-2-4-10-16(14)20-19(15)21-17-11-5-6-12-18(17)22-20/h1-12H
InChIKey
KHPYJVQRBJJYSF-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)C3=CC=CC=C3C4=NC5=CC=CC=C5N=C24
Isomeric SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C4=NC5=CC=CC=C5N=C24
PubChem CID
9166
Molecular Weight
280.3
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
280.300 g/mol
XLogP3
5.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
280.1 Da
Monoisotopic Mass
280.1 Da
Topological Polar Surface Area
25.800 Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
371.000
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
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