Dibenzo[a,l]pentacene , CAS No.227-09-8

CAS: 227-09-8 Cat. No.: D404263 Summenformel: C₃₀H₁₈ Molekulargewicht: 378.47

Synonyms

1,2:8,9-Dibenzpentacene | 1,8,9-Dibenzopentacene | FT-0631881 | Dibenzo[a,l]pentacene # | NSC 90327 | XSTMLGGLUNLJRY-UHFFFAOYSA-N | MFCD00039580 | 1,2,8,9-Dibenzpentacene | EINECS 205-933-9 | 1,8,9-Dibenzpentacene | 1,2:8,9-Dibenzopentacene | NSC90327 | N

Storage

Argon charged,Room temperature

Übersicht

Maximum Absorption Wavelength:350(Toluene)nm

Specifications

Synonyme

1,2:8,9-Dibenzpentacene | 1,8,9-Dibenzopentacene | FT-0631881 | Dibenzo[a,l]pentacene # | NSC 90327 | XSTMLGGLUNLJRY-UHFFFAOYSA-N | MFCD00039580 | 1,2,8,9-Dibenzpentacene | EINECS 205-933-9 | 1,8,9-Dibenzpentacene | 1,2:8,9-Dibenzopentacene | NSC90327 | N

Storage

Argon charged,Room temperature

Namen und Kennungen

• Kanonisches Lächeln: C1=CC=C2C(=C1)C=CC3=CC4=CC5=C(C=C6C=CC7=CC=CC=C7C6=C5)C=C4C=C32
• IUPAC Name: heptacyclo[16.12.0.03,16.05,14.06,11.020,29.021,26]triaconta-1,3(16),4,6,8,10,12,14,17,19,21,23,25,27,29-pentadecaene
• InChIKey: XSTMLGGLUNLJRY-UHFFFAOYSA-N
• INCHI: 1S/C30H18/c1-3-7-27-19(5-1)9-11-21-13-23-16-26-18-30-22(12-10-20-6-2-4-8-28(20)30)14-24(26)15-25(23)17-29(21)27/h1-18H
• Isomere SMILES: C1=CC=C2C(=C1)C=CC3=CC4=CC5=C(C=C6C=CC7=CC=CC=C7C6=C5)C=C4C=C32
• Molekulargewicht: 378.47
• Reaxy-Rn: 2153535
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2153535&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Pentacenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Pentacenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pentacenes
• Alternative Parents: Phenanthrenes and derivatives Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Pentacene - Phenanthrene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pentacenes. These are compounds containing a pentacene moiety, which is consists of five linearly 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light Sensitive,Air Sensitive
• Molekulargewicht: 378.500 g/mol
• XLogP3: 9.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 378.141 Da
• Monoisotopic Mass: 378.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 568.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 227-09-8, the molecular formula is C30H18, and the molecular weight is 378.47 g/mol. InChIKey XSTMLGGLUNLJRY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.