| Sonrisas canónicas | C1=CC=C2C(=C1)C=C(N2)C3=CC=C(C=C3)Br |
|---|---|
| IUPAC Name | 2-(4-bromophenyl)-1H-indole |
| InChIKey | BWEPILBIWVZIPA-UHFFFAOYSA-N |
| INCHI | 1S/C14H10BrN/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9,16H |
| Isómeros SMILES | C1=CC=C2C(=C1)C=C(N2)C3=CC=C(C=C3)Br |
| PubChem CID | 623252 |
| Peso molecular | 272.14 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Indoles and derivatives |
| Subclass | Indoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2-phenylindoles |
| Alternative Parents | Phenylpyrroles Bromobenzenes Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-phenylindole - 2-phenylpyrrole - Bromobenzene - Halobenzene - Benzenoid - Substituted pyrrole - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Pyrrole - Heteroaromatic compound - Azacycle - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 2-phenylindoles. These are indoles substituted at the 2-position with a phenyl group. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Peso molecular | 272.140 g/mol |
|---|---|
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 1 |
| Exact Mass | 271 Da |
| Monoisotopic Mass | 271 Da |
| Topological Polar Surface Area | 15.800 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 235.000 |
| 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 |
