Corannulene - Moligand™,≥97% , CAS No.5821-51-2

CAS: 5821-51-2 Cat. No.: C153260 Fórmula: C₂₀H₁₀ Peso molecular: 250.30

GRAU & PUREZA Moligand™, ≥97%

Synonyms

hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene|Dibenzo[ghi,mno]fluoranthene|hexacyclo[11.5.2.0^{4,17.0^{7,16.0^{10,15.0^{14,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene|Corannulene|Dibenzo(ghi,mno)fluoranthene|Hexacyclo(11.5.2.04,17.07,16.010,15.014,18)icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Especificações

Sinónimos

hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene | Dibenzo[ghi,mno]fluoranthene | hexacyclo[11.5.2.0^{4,17.0^{7,16.0^{10,15.0^{14,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene | Corannulene | Dibenzo(ghi,mno)fluoranthene | Hexacyclo(11.5.2.04,17.07,16.010,15.014,18)icosa-1(18),2,4 Show more

Especificações e pureza

Moligand™,≥97%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

AGONIST

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

C1=CC2=C3C4=C1C=CC5=C4C6=C(C=C5)C=CC(=C36)C=C2

IUPAC Name

hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene

InChIKey

VXRUJZQPKRBJKH-UHFFFAOYSA-N

INCHI

1S/C20H10/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11(1)16-17(12)19(14)20(15)18(13)16/h1-10H

SMILES isoméricas

C1=CC2=C3C4=C1C=CC5=C4C6=C(C=C5)C=CC(=C36)C=C2

Peso molecular

250.30

Reaxy-Rn

2050479

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2050479&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenanthrenes and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenanthrenes and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenanthrenes and derivatives
• Alternative Parents: Naphthalenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenanthrene - Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
• 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

Propriedades químicas e físicas

• Sensibilidade: air sensitive
• Ponto de fusão (°C): 269°C(lit.)
• Peso molecular: 250.300 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 250.078 Da
• Monoisotopic Mass: 250.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 303.000
• 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