Determine the necessary mass, volume, or concentration for preparing a solution.
≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice 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.
| Sonrisas canónicas | C1=CC(=CC=C1C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)C6=CC=C(C=C6)C(=O)O)C(=O)O |
|---|---|
| IUPAC Name | 4-[4-[4-(4-carboxyphenyl)-N-[4-(4-carboxyphenyl)phenyl]anilino]phenyl]benzoic acid |
| InChIKey | NWYGETXZXGDGKD-UHFFFAOYSA-N |
| INCHI | 1S/C39H27NO6/c41-37(42)31-7-1-25(2-8-31)28-13-19-34(20-14-28)40(35-21-15-29(16-22-35)26-3-9-32(10-4-26)38(43)44)36-23-17-30(18-24-36)27-5-11-33(12-6-27)39(45)46/h1-24H,(H,41,42)(H,43,44)(H,45,46) |
| Isómeros SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)C6=CC=C(C=C6)C(=O)O)C(=O)O |
| Peso molecular | 605.63 |
| Reaxy-Rn | 21571755 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21571755&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Clase | Organonitrogen compounds |
| Subclass | Amines |
| Intermediate Tree Nodes | Tertiary amines |
| Direct Parent | Triarylamines |
| Alternative Parents | Tricarboxylic acids and derivatives Benzoic acids Benzoyl derivatives Aniline and substituted anilines Trialkylamines Amino acids Enamines Carboxylic acids Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Tertiary aromatic amine - Tricarboxylic acid or derivatives - Benzoic acid - Benzoic acid or derivatives - Aniline or substituted anilines - Benzoyl - Benzenoid - Monocyclic benzene moiety - Amino acid - Tertiary aliphatic amine - Amino acid or derivatives - Enamine - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as triarylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three aryl groups bonded to the amino nitrogen. |
| External Descriptors | Not available |
| Peso molecular | 605.600 g/mol |
|---|---|
| XLogP3 | 8.600 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 605.184 Da |
| Monoisotopic Mass | 605.184 Da |
| Topological Polar Surface Area | 115.000 Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 871.000 |
| 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 |