9,10-Diphenylanthracene - ≥98% , CAS No.1499-10-1

CAS: 1499-10-1 Cat. No.: D106409 Molecular Weight: 330.42 Beilstein Registry Number: 1914010 EC Number: 216-105-1

GRADE & PURITY ≥98%

Synonyms

Anthracene

Storage

Room temperature

Shipped In

Normal

Overview

Achieving spin-triplet exciton transfer between silicon and molecular acceptors for photon upconversion.: This research demonstrates the transfer of triplet excitons from silicon to 9,10-diphenylanthracene, a key mechanism for photon upconversion technologies that could revolutionize solar energy harvesting and optoelectronic devices

Specifications

Synonyms

Anthracene

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504752641
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752641
• Canonical Smiles: C1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC=CC=C5
• IUPAC Name: 9,10-diphenylanthracene
• InChIKey: FCNCGHJSNVOIKE-UHFFFAOYSA-N
• INCHI: 1S/C26H18/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-18H
• Isomeric SMILES: C1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC=CC=C5
• WGK Germany: 3
• RTECS: CB0545500
• Molecular Weight: 330.42
• Beilstein: 1914010
• Reaxy-Rn: 1914010
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1914010&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lignans, neolignans and related compounds
    • Class Arylnaphthalene lignans

• Kingdom: Organic compounds
• Superclass: Lignans, neolignans and related compounds
• Class: Arylnaphthalene lignans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Arylnaphthalene lignans
• Alternative Parents: Anthracenes Benzene and substituted derivatives Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Arylnaphthalene lignan skeleton - Anthracene - Benzenoid - Monocyclic benzene moiety - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as arylnaphthalene lignans. These are lignans containing the arylnaphthalene skeleton, especially 9-(2H-1,3-benzodioxol-5-yl)-1H,3H-naphtho[2,3-c]furan-1-one or a derivative thereof. Arylnaphthalene lignans occur in nature and exhibit diverse biological activities.
• External Descriptors: anthracenes

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

• Solubility: Soluble in ethanol, chloroform, benzene, and carbon disulfide. Insoluble in water.
• Boil Point(°C): 469.1ºC
• Melt Point(°C): 245-248°C
• Molecular Weight: 330.400 g/mol
• XLogP3: 7.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 330.141 Da
• Monoisotopic Mass: 330.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 375.000
• 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

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