Bianthrone - ≥95%(HPLC) , CAS No.434-85-5

CAS: 434-85-5 Cat. No.: B151959 分子式: C₂₈H₁₆O₂ 分子量: 384.43 Beilstein Registry Number: 7848

グレード＆純度 ≥95%(HPLC)

Synonyms

AKOS005443793 | Dehydrodianthrone | NSC627656 | NSC-627656 | 10-(10-oxoanthracen-9-ylidene)anthracen-9-one | 10H,10'H-[9,9'-Bianthracenylidene]-10,10'-dione | B0827 | 10-(10-oxo-9-anthrylidene)anthracen-9-one | InChI=1/C28H16O2/c29-27-21-13-5-1-9-17(21)25

Storage

Room temperature

Shipped In

Normal

仕様

同義語

AKOS005443793 | Dehydrodianthrone | NSC627656 | NSC-627656 | 10-(10-oxoanthracen-9-ylidene)anthracen-9-one | 10H,10'H-[9,9'-Bianthracenylidene]-10,10'-dione | B0827 | 10-(10-oxo-9-anthrylidene)anthracen-9-one | InChI=1/C28H16O2/c29-27-21-13-5-1-9-17(21)25

仕様と純度

≥95%(HPLC)

保管条件

Room temperature

入荷

Normal

純度

≥95%(HPLC)

名前と識別子

パブケム・シド

488184042

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488184042

カノニカル・スマイル

C1=CC=C2C(=C1)C(=C3C4=CC=CC=C4C(=O)C5=CC=CC=C53)C6=CC=CC=C6C2=O

IUPAC Name

10-(10-oxoanthracen-9-ylidene)anthracen-9-one

InChIKey

MGRRGKWPEVFJSH-UHFFFAOYSA-N

INCHI

1S/C28H16O2/c29-27-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27)26-19-11-3-7-15-23(19)28(30)24-16-8-4-12-20(24)26/h1-16H

異性体SMILES

C1=CC=C2C(=C1)C(=C3C4=CC=CC=C4C(=O)C5=CC=CC=C53)C6=CC=CC=C6C2=O

分子量

384.43

Beilstein

7848

Reaxy-Rn

2062684

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2062684&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Aryl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthracene - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three 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

化学的性質と物理的性質

• 融点（°C）: 300 °C
• 分子量: 384.400 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 384.115 Da
• Monoisotopic Mass: 384.115 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 630.000
• 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