2,5-Diphenylfuran - ≥98% , CAS No.955-83-9

CAS: 955-83-9 Cat. No.: D154958 Molecular Weight: 220.27 Beilstein Registry Number: 17(5)2,398 EC Number: 213-474-0

GRADE & PURITY ≥98%

Synonyms

AKOS015840535 | DTXSID5022142 | EINECS 213-474-0 | 2FGD8BE3PZ | 4-nitro-N-[(E)-4-quinolylmethyleneamino]aniline | PPF (VAN) | Q27122078 | PPF | Furan,5-diphenyl- | D3176 | AS-50033 | 3-amino-6-hydroxy-2-phenyl-2,5-dihydro-4H-pyrazolo[4,3-c]pyridin-4-one |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS015840535 | DTXSID5022142 | EINECS 213-474-0 | 2FGD8BE3PZ | 4-nitro-N-[(E)-4-quinolylmethyleneamino]aniline | PPF (VAN) | Q27122078 | PPF | Furan, 5-diphenyl- | D3176 | AS-50033 | 3-amino-6-hydroxy-2-phenyl-2, 5-dihydro-4H-pyrazolo[4, 3-c]pyridin-4-one |

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488184535
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184535
• Canonical Smiles: C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=CC=C3
• IUPAC Name: 2,5-diphenylfuran
• InChIKey: VUPDHIIPAKIKAB-UHFFFAOYSA-N
• INCHI: 1S/C16H12O/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14/h1-12H
• Isomeric SMILES: C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=CC=C3
• Molecular Weight: 220.27
• Beilstein: 17(5)2,398
• Reaxy-Rn: 146933
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=146933&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Furans
      • Subclass Diphenylfurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Furans
• Subclass: Diphenylfurans
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,5-diphenylfurans
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,5-diphenylfuran - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,5-diphenylfurans. These are organic heterocyclic compounds that contain a furan ring substituted with a phenyl group only the C2- and C5-positions.
• External Descriptors: diphenylfuran

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)

PDE4A Tclin Phosphodiesterase 4A (1943 Activities)

Discover Target: PDE4A

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: soluble in MeOH
• Boil Point(°C): 345°C(lit.)
• Melt Point(°C): 90°C(lit.)
• Molecular Weight: 220.260 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 220.089 Da
• Monoisotopic Mass: 220.089 Da
• Topological Polar Surface Area: 13.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 202.000
• 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