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4-(3-Bromophenyl)-6-phenyldibenzo[b,d]furan - 97%, high purity , CAS No.2088537-45-3
Basic Description
Synonyms
F71662 | SY291268 | SCHEMBL17703163 | BS-46806 | 2088537-45-3 | MFCD32670066 | 4-(3-Bromophenyl)-6-phenyldibenzo[b,d]furan | 4-(3-bromophenyl)-6-phenyldibenzofuran | Dibenzofuran,4-(3-bromophenyl)-6-phenyl-
Specifications & Purity
≥97%
Storage Temp
Room temperature,Desiccated
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzofurans
Subclass
Phenylbenzofurans
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbenzofurans
Alternative Parents
Dibenzofurans Bromobenzenes Aryl bromides Heteroaromatic compounds Furans Oxacyclic compounds Organooxygen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbenzofuran - Dibenzofuran - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Heteroaromatic compound - Furan - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbenzofurans. These are organic aromatic compounds that contain a phenyl group attached to a benzofuran moiety. Benzofuran is a bicyclic compound containing a benzene fused to a furan.
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
504772941
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504772941
IUPAC Name
4-(3-bromophenyl)-6-phenyldibenzofuran
INCHI
InChI=1S/C24H15BrO/c25-18-10-4-9-17(15-18)20-12-6-14-22-21-13-5-11-19(23(21)26-24(20)22)16-7-2-1-3-8-16/h1-15H
InChIKey
QSUPTHBRZMHSGI-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)C2=CC=CC3=C2OC4=C3C=CC=C4C5=CC(=CC=C5)Br
Isomeric SMILES
C1=CC=C(C=C1)C2=CC=CC3=C2OC4=C3C=CC=C4C5=CC(=CC=C5)Br
Molecular Weight
399.28
Reaxy-Rn
29934060
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29934060&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
399.300 g/mol
XLogP3
7.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
398.031 Da
Monoisotopic Mass
398.031 Da
Topological Polar Surface Area
13.100 Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
473.000
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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