| Sonrisas canónicas | C1=CC=C(C=C1)C2=CC=CC=C2C3=C4C=CC=CC4=C(C5=CC=CC=C53)Br |
|---|---|
| IUPAC Name | 9-bromo-10-(2-phenylphenyl)anthracene |
| InChIKey | NANUBXRTTQXXDS-UHFFFAOYSA-N |
| INCHI | 1S/C26H17Br/c27-26-23-16-8-6-14-21(23)25(22-15-7-9-17-24(22)26)20-13-5-4-12-19(20)18-10-2-1-3-11-18/h1-17H |
| Isómeros SMILES | C1=CC=C(C=C1)C2=CC=CC=C2C3=C4C=CC=CC4=C(C5=CC=CC=C53)Br |
| Peso molecular | 409.33 |
| Reaxy-Rn | 14518779 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14518779&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lignans, neolignans and related compounds |
| Clase | Arylnaphthalene lignans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Arylnaphthalene lignans |
| Alternative Parents | Anthracenes Biphenyls and derivatives Aryl bromides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Arylnaphthalene lignan skeleton - Anthracene - Biphenyl - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound |
| Descripción | 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 |
| Solubilidad | Soluble in toluene |
|---|---|
| Punto de fusión (°C) | 146.0 to 150.0 °C |
| Peso molecular | 409.300 g/mol |
| XLogP3 | 8.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 2 |
| Exact Mass | 408.051 Da |
| Monoisotopic Mass | 408.051 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 457.000 |
| 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 |
