2,9-Diformyl-1,10-phenanthroline - ≥96% , CAS No.57709-62-3

CAS: 57709-62-3 Cat. No.: P304042 Molecular Weight: 236.23 PubChem CID: 602123

GRADE & PURITY ≥96%

Synonyms

Q30948420 | AKOS001703860 | AMY41585 | SCHEMBL1088335 | MFCD00774291 | D83618 | 1,10-Phenanthroline-2,9-dicarboxaldehyde | 1,10-phenanthroline-2,9-dicarbaldehyde | 1,10PHENANTHROLINE-2,9-DICARBALDEHYDE | BDBM50401341 | C14H8N2O2 | Cambridge id 5478062 | R

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Q30948420 | AKOS001703860 | AMY41585 | SCHEMBL1088335 | MFCD00774291 | D83618 | 1, 10-Phenanthroline-2, 9-dicarboxaldehyde | 1, 10-phenanthroline-2, 9-dicarbaldehyde | 1, 10PHENANTHROLINE-2, 9-DICARBALDEHYDE | BDBM50401341 | C14H8N2O2 | Cambridge id 5478062 | R

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488190636
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190636
• Canonical Smiles: C1=CC2=C(C3=C1C=CC(=N3)C=O)N=C(C=C2)C=O
• IUPAC Name: 1,10-phenanthroline-2,9-dicarbaldehyde
• InChIKey: RHXOPVFYZBGQGA-UHFFFAOYSA-N
• INCHI: 1S/C14H8N2O2/c17-7-11-5-3-9-1-2-10-4-6-12(8-18)16-14(10)13(9)15-11/h1-8H
• Isomeric SMILES: C1=CC2=C(C3=C1C=CC(=N3)C=O)N=C(C=C2)C=O
• PubChem CID: 602123
• Molecular Weight: 236.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Phenanthrolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Phenanthrolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrolines
• Alternative Parents: Quinolines and derivatives Pyridine carboxaldehydes Aryl-aldehydes Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,10-phenanthroline - Quinoline - 2-pyridine carboxaldehyde - Aryl-aldehyde - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Aldehyde - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenanthrolines. These are aromatic polycyclic compounds containing the phenanthroline skeleton, which is a derivative of phenanthrene, and consists of two pyridine rings non-linearly joined by a benzene 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CCR1 Tchem C-C chemokine receptor type 1 (1730 Activities)

Discover Target: CCR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CCR5 Tclin C-C chemokine receptor type 5 (5640 Activities)

Discover Target: CCR5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Boil Point(°C): 503.8±45.0 °C(Predicted)
• Melt Point(°C): 230℃
• Molecular Weight: 236.220 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 236.059 Da
• Monoisotopic Mass: 236.059 Da
• Topological Polar Surface Area: 59.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 302.000
• 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