for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C(C=C1)C2=C(C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)Br)C6=CC=CC=C6 |
|---|---|
| IUPAC Name | (1-bromo-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene |
| InChIKey | HCSNYWQHJSONEK-UHFFFAOYSA-N |
| INCHI | 1S/C35H25Br/c36-35(30-24-14-5-15-25-30)33(28-20-10-3-11-21-28)31(26-16-6-1-7-17-26)32(27-18-8-2-9-19-27)34(35)29-22-12-4-13-23-29/h1-25H |
| Isomeric SMILES | C1=CC=C(C=C1)C2=C(C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)Br)C6=CC=CC=C6 |
| WGK Germany | 3 |
| Molecular Weight | 525.48 |
| Reaxy-Rn | 3086991 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3086991&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Stilbenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Stilbenes |
| Alternative Parents | Benzene and substituted derivatives Organobromides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Stilbene - Benzenoid - Monocyclic benzene moiety - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. |
| External Descriptors | Not available |
| Melt Point(°C) | 189-190° C (lit.) |
|---|---|
| Molecular Weight | 525.500 g/mol |
| XLogP3 | 8.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 5 |
| Exact Mass | 524.114 Da |
| Monoisotopic Mass | 524.114 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 730.000 |
| 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 |
