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

CAS: 5821-51-2 Cat. No.: C153260 Formula: C₂₀H₁₀ Molecular Weight: 250.30

GRADE & PURITY 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

Specifications

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 Show more

Specifications & Purity

Moligand™,≥97%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

AGONIST

Purity

≥97%

Names and Identifiers

Canonical Smiles

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

Isomeric SMILES

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

Molecular Weight

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
    • Class Phenanthrenes and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: air sensitive
• Melt Point(°C): 269°C(lit.)
• Molecular Weight: 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