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9-[1,1'-Biphenyl]-4-yl-10-bromo-2-phenylanthracene - 98%, high purity , CAS No.1195975-03-1
Basic Description
Synonyms
9-(4-Biphenylyl)-10-bromo-2-phenylanthracene
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
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
Phenylnaphthalenes Anthracenes Biphenyls and derivatives Aryl bromides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Arylnaphthalene lignan skeleton - Phenylnaphthalene - Anthracene - Biphenyl - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - 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
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.
Names and Identifiers
Pubchem Sid
488201910
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488201910
IUPAC Name
10-bromo-2-phenyl-9-(4-phenylphenyl)anthracene
INCHI
InChI=1S/C32H21Br/c33-32-28-14-8-7-13-27(28)31(25-17-15-24(16-18-25)22-9-3-1-4-10-22)30-21-26(19-20-29(30)32)23-11-5-2-6-12-23/h1-21H
InChIKey
NGUZRYYKSIYQOV-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C=C(C=CC4=C(C5=CC=CC=C53)Br)C6=CC=CC=C6
Isomeric SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C=C(C=CC4=C(C5=CC=CC=C53)Br)C6=CC=CC=C6
Molecular Weight
485.42
Reaxy-Rn
30091292
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30091292&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°C)
329 ºC
Boil Point(°C)
638 ºC
Melt Point(°C)
235.0 to 239.0 °C
Molecular Weight
485.400 g/mol
XLogP3
10.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
3
Exact Mass
484.083 Da
Monoisotopic Mass
484.083 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
33
Formal Charge
0
Complexity
608.000
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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E2312358