for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Sonrisas canónicas | CN1C2=CC(=C(C=C2C(=C1C3=CC=CC=C3)C4=CN(N=N4)CCC(=O)NC5=CC=C(C=C5)C6=CC=CC=C6)C(=O)O)O |
|---|---|
| IUPAC Name | 6-hydroxy-1-methyl-3-[1-[3-oxo-3-(4-phenylanilino)propyl]triazol-4-yl]-2-phenylindole-5-carboxylic acid |
| InChIKey | RATFAFAWIWHLMR-UHFFFAOYSA-N |
| INCHI | 1S/C33H27N5O4/c1-37-28-19-29(39)26(33(41)42)18-25(28)31(32(37)23-10-6-3-7-11-23)27-20-38(36-35-27)17-16-30(40)34-24-14-12-22(13-15-24)21-8-4-2-5-9-21/h2-15,18-20,39H,16-17H2,1H3,(H,34,40)(H,41,42) |
| Isómeros SMILES | CN1C2=CC(=C(C=C2C(=C1C3=CC=CC=C3)C4=CN(N=N4)CCC(=O)NC5=CC=C(C=C5)C6=CC=CC=C6)C(=O)O)O |
| PubChem CID | 25262527 |
| Términos de entrada MeSH | 3-(1-(3-(biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3-triazol-4-yl)-6-hydroxy-1-methyl-2-phenyl-1H-indole-5-carboxylic acid;II-B08 compound |
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 | Indolecarboxylic acids Biphenyls and derivatives Phenylpyrroles Salicylic acid and derivatives N-alkylindoles Hydroxyindoles Anilides N-arylamides 1-hydroxy-2-unsubstituted benzenoids N-methylpyrroles Vinylogous acids Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-phenylindole - Biphenyl - Indolecarboxylic acid - Indolecarboxylic acid derivative - 2-phenylpyrrole - Hydroxybenzoic acid - Salicylic acid or derivatives - N-alkylindole - Hydroxyindole - Anilide - N-arylamide - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Substituted pyrrole - N-methylpyrrole - Vinylogous acid - 1,2,3-triazole - Azole - Pyrrole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - 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 |
| Peso molecular | 557.600 g/mol |
|---|---|
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 557.206 Da |
| Monoisotopic Mass | 557.206 Da |
| Topological Polar Surface Area | 122.000 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 916.000 |
| 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 |
![3-{1-[3-(biphenyl-4-ylamino)-3-oxopropyl]-1H-1,2,3-triazol-4-yl}-6-hydroxy-1-methyl-2-phenyl-1H-indole-5-carboxylic acid - CAS No(1143579-78-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/B/1/B1028217.jpg)