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

CAS: 5821-51-2 Cat. No.: C153260 분자식: C₂₀H₁₀ 분자량: 250.30

등급 & 순도 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

사양

동의어

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

사양 및 순도

Moligand™,≥97%

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

AGONIST

순수함

≥97%

이름과 식별자

정식 스마일

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

이성체 SMILES

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

분자량

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
    • 분류 Phenanthrenes and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: air sensitive
• 녹는점(°C): 269°C(lit.)
• 분자량: 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