Dinaphtho[2,1-b:1',2'-d]furan - ≥98% , CAS No.194-63-8

CAS: 194-63-8 Cat. No.: D404276 Molecular Weight: 268.32

GRADE & PURITY ≥98%

Synonyms

.BETA.-DINAPHTHYLENE OXIDE | A930186 | 1,1'-Binaphthylene 2,2'-oxide | D5565 | Dinaphtho(2,1-b:1',2'-d)furan | SY237626 | UNII-YA5EYQ6A72 | YA5EYQ6A72 | 12-oxapentacyclo[11.8.0.0^{2,11}.0^{3,8}.0^{16,21}]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene |

Storage

Room temperature

Overview

Maximum Absorption Wavelength:356(CH2Cl2)nm

Specifications

Synonyms

.BETA.-DINAPHTHYLENE OXIDE | A930186 | 1, 1'-Binaphthylene 2, 2'-oxide | D5565 | Dinaphtho(2, 1-b:1', 2'-d)furan | SY237626 | UNII-YA5EYQ6A72 | YA5EYQ6A72 | 12-oxapentacyclo[11.8.0.0^{2, 11}.0^{3, 8}.0^{16, 21}]henicosa-1(13), 2(11), 3, 5, 7, 9, 14, 16, 18, 20-decaene |

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488189600
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189600
• Canonical Smiles: C1=CC=C2C(=C1)C=CC3=C2C4=C(O3)C=CC5=CC=CC=C54
• IUPAC Name: 12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• InChIKey: QIMOZEUDRUTIBS-UHFFFAOYSA-N
• INCHI: 1S/C20H12O/c1-3-7-15-13(5-1)9-11-17-19(15)20-16-8-4-2-6-14(16)10-12-18(20)21-17/h1-12H
• Isomeric SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=C(O3)C=CC5=CC=CC=C54
• Molecular Weight: 268.32
• Reaxy-Rn: 19170
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19170&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Naphthofurans
      • Subclass Dinaphthofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Naphthofurans
• Subclass: Dinaphthofurans
• Intermediate Tree Nodes: Not available
• Direct Parent: Dinaphthofurans
• Alternative Parents: Dibenzofurans Naphthalenes Heteroaromatic compounds Furans Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dinaphthofuran - Dibenzofuran - Naphthalene - Benzofuran - Benzenoid - Heteroaromatic compound - Furan - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dinaphthofurans. These are organic aromatic compounds that contain two naphthalene moieties fused to each other through a furan ring. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.
• 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

• Melt Point(°C): 159 °C
• Molecular Weight: 268.300 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 268.089 Da
• Monoisotopic Mass: 268.089 Da
• Topological Polar Surface Area: 13.100 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 355.000
• 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