Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% 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 | CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C(CCO)(C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O |
|---|---|
| IUPAC Name | 6-[(1S)-1,3-dihydroxy-1-(1-tritylimidazol-4-yl)propyl]-N-methylnaphthalene-2-carboxamide |
| InChIKey | UXPBYIZHMMSNDJ-BHVANESWSA-N |
| INCHI | 1S/C37H33N3O3/c1-38-35(42)29-18-17-28-24-33(20-19-27(28)23-29)36(43,21-22-41)34-25-40(26-39-34)37(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-20,23-26,41,43H,21-22H2,1H3,(H,38,42)/t36-/m0/s1 |
| Isomeric SMILES | CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)[C@@](CCO)(C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O |
| PubChem CID | 57465808 |
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 | Benzenoids |
| Class | Triphenyl compounds |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triphenyl compounds |
| Alternative Parents | Naphthalenecarboxamides N-substituted imidazoles Benzene and substituted derivatives Tertiary alcohols Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Triphenyl compound - 2-naphthalenecarboxamide - 2-naphthalenecarboxylic acid or derivatives - Naphthalene - Monocyclic benzene moiety - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Tertiary alcohol - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Aromatic alcohol - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Primary alcohol - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety. |
| External Descriptors | Not available |
| Molecular Weight | 567.700 g/mol |
|---|---|
| XLogP3 | 5.700 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 9 |
| Exact Mass | 567.252 Da |
| Monoisotopic Mass | 567.252 Da |
| Topological Polar Surface Area | 87.400 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 850.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |