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B-(10-[1,1'-Biphenyl]-4-yl-9-anthracenyl)boronic acid - 98%, high purity , CAS No.400607-47-8
Basic Description
Synonyms
400607-47-8 | (10-([1,1'-Biphenyl]-4-yl)anthracen-9-yl)boronic acid | [10-(4-phenylphenyl)anthracen-9-yl]boronic acid | (10-[1,1'-biphenyl]-4-yl-9-anthracenyl)boronic acid | Boronic acid, (10-[1,1'-biphenyl]-4-yl-9-anthracenyl)- | (10-([1,1'-Biphenyl]-4-yl)anthrace
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
Anthracenes Biphenyls and derivatives Boronic acids Organic metalloid salts Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Arylnaphthalene lignan skeleton - Anthracene - Biphenyl - Benzenoid - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic metalloid moeity - 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
IUPAC Name
[10-(4-phenylphenyl)anthracen-9-yl]boronic acid
INCHI
InChI=1S/C26H19BO2/c28-27(29)26-23-12-6-4-10-21(23)25(22-11-5-7-13-24(22)26)20-16-14-19(15-17-20)18-8-2-1-3-9-18/h1-17,28-29H
InChIKey
QIOZCMIWAVEQPN-UHFFFAOYSA-N
Smiles
B(C1=C2C=CC=CC2=C(C3=CC=CC=C13)C4=CC=C(C=C4)C5=CC=CC=C5)(O)O
Isomeric SMILES
B(C1=C2C=CC=CC2=C(C3=CC=CC=C13)C4=CC=C(C=C4)C5=CC=CC=C5)(O)O
Molecular Weight
374.24
Reaxy-Rn
11441860
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11441860&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°C)
331 ºC
Boil Point(°C)
623 ºC
Molecular Weight
374.200 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
374.148 Da
Monoisotopic Mass
374.148 Da
Topological Polar Surface Area
40.500 Ų
Heavy Atom Count
29
Formal Charge
0
Complexity
499.000
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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