Sumanene , CAS No.151253-59-7

CAS: 151253-59-7 Cat. No.: S404118 Formule: C₂₁H₁₂ Poids moléculaire: 264.3 PubChem CID: 11173107

Synonyms

heptacyclo[12.6.1.04,19.06,18.09,17.011,16.015,20]henicosa-1(20),2,4(19),6(18),7,9(17),11(16),12,14-nonaene | DTXSID20894120 | sumanene | 1H-Tricyclopenta(def,jkl,pqr)triphenylene, 4,7-dihydro- | Heptacyclo(12.6.1.04,19.06,18.09,17.011,16.015,20)henicosa-

Storage

Room temperature

Specifications

Synonymes

heptacyclo[12.6.1.04,19.06,18.09,17.011,16.015,20]henicosa-1(20),2,4(19),6(18),7,9(17),11(16),12,14-nonaene | DTXSID20894120 | sumanene | 1H-Tricyclopenta(def,jkl,pqr)triphenylene, 4,7-dihydro- | Heptacyclo(12.6.1.04,19.06,18.09,17.011,16.015,20)henicosa-

Conditions de stockage de stockage

Room temperature

Noms et identifiants

• Sourires canoniques: C1C2=C3C4=C(CC5=C4C6=C(CC7=C6C3=C1C=C7)C=C5)C=C2
• IUPAC Name: heptacyclo[12.6.1.04,19.06,18.09,17.011,16.015,20]henicosa-1(20),2,4(19),6(18),7,9(17),11(16),12,14-nonaene
• InChIKey: WOYKPMSXBVTRKZ-UHFFFAOYSA-N
• INCHI: 1S/C21H12/c1-2-11-8-13-5-6-15-9-14-4-3-12-7-10(1)16-17(11)19(13)21(15)20(14)18(12)16/h1-6H,7-9H2
• Isomères SMILES: C1C2=C3C4=C(CC5=C4C6=C(CC7=C6C3=C1C=C7)C=C5)C=C2
• PubChem CID: 11173107
• Poids moléculaire: 264.3

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenanthrenes and derivatives
• Subclass: Triphenylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenylenes
• Alternative Parents: Naphthalenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Triphenylene - Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triphenylenes. These are compounds containing a triphenylene moiety, which consists of four fused benzene rings forming a 9,10-benzo[l]phenanthrene.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 264.300 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 264.094 Da
• Monoisotopic Mass: 264.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 381.000
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

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

The CAS Number is 151253-59-7, the molecular formula is C21H12, and the molecular weight is 264.3 g/mol. InChIKey WOYKPMSXBVTRKZ-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.