Phen-NaDPO - ≥98% , CAS No.1480371-38-7

CAS: 1480371-38-7 Cat. No.: P932629 Molecular Weight: 506.53 PubChem CID: 101876674

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC4=C(C=C3)C=C(C=C4)C5=CN=C6C(=C5)C=CC7=C6N=CC=C7
• IUPAC Name: 3-(6-diphenylphosphorylnaphthalen-2-yl)-1,10-phenanthroline
• InChIKey: OAOXYBSWOZWDBB-UHFFFAOYSA-N
• INCHI: 1S/C34H23N2OP/c37-38(30-9-3-1-4-10-30,31-11-5-2-6-12-31)32-18-17-25-20-26(14-15-27(25)22-32)29-21-28-16-13-24-8-7-19-35-33(24)34(28)36-23-29/h1-23H
• Isomeric SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC4=C(C=C3)C=C(C=C4)C5=CN=C6C(=C5)C=CC7=C6N=CC=C7
• PubChem CID: 101876674
• Molecular Weight: 506.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthylquinolines
• Alternative Parents: Phenanthrolines Naphthalenes Phenylphosphines and derivatives Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organophosphorus compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthylquinoline - Triphenylphosphine - 1,10-phenanthroline - Naphthalene - Phenylphosphine - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organophosphorus compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Melt Point(°C): Tg~116℃
• Molecular Weight: 506.500 g/mol
• XLogP3: 7.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 506.155 Da
• Monoisotopic Mass: 506.155 Da
• Topological Polar Surface Area: 42.900 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 812.000
• 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