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2,9-Bis(naphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline - Sublimed,>99%(HPLC), high purity , CAS No.1174006-43-9
Basic Description
Synonyms
1174006-43-9 | 2,9-BIS(NAPHTHALEN-2-YL)-4,7-DIPHENYL-1,10-PHENANTHROLINE | Nbphen | 2,9-di(naphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline | 2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline | SCHEMBL184973 | DTXSID60695173 | MFCD12022443 | AKOS025146888 | OL10166 | S
Specifications & Purity
sublimed grade, ≥99%(HPLC)
Grade
sublimed grade
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Phenylquinolines
Intermediate Tree Nodes
Not available
Direct Parent
Naphthylquinolines
Alternative Parents
Phenanthrolines Phenylpyridines Naphthalenes Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Naphthylquinoline - 1,10-phenanthroline - 4-phenylpyridine - Naphthalene - Benzenoid - Pyridine - Monocyclic benzene moiety - 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 naphthylquinolines. These are polycyclic aromatic compounds containing a naphthene moiety linked to a quinoline through a CC or CN single bond.
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
2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline
INCHI
InChI=1S/C44H28N2/c1-3-13-31(14-4-1)39-27-41(35-21-19-29-11-7-9-17-33(29)25-35)45-43-37(39)23-24-38-40(32-15-5-2-6-16-32)28-42(46-44(38)43)36-22-20-30-12-8-10-18-34(30)26-36/h1-28H
InChIKey
XESMNQMWRSEIET-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)C2=CC(=NC3=C2C=CC4=C3N=C(C=C4C5=CC=CC=C5)C6=CC7=CC=CC=C7C=C6)C8=CC9=CC=CC=C9C=C8
Isomeric SMILES
C1=CC=C(C=C1)C2=CC(=NC3=C2C=CC4=C3N=C(C=C4C5=CC=CC=C5)C6=CC7=CC=CC=C7C=C6)C8=CC9=CC=CC=C9C=C8
Reaxy-Rn
18307232
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18307232&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
584.700 g/mol
XLogP3
11.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
584.225 Da
Monoisotopic Mass
584.225 Da
Topological Polar Surface Area
25.800 Ų
Heavy Atom Count
46
Formal Charge
0
Complexity
902.000
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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