≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light 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.
| Canonical Smiles | C1=CC(=CC=C1C#CC2=CC(=CC(=C2)C#CC3=CC=C(C=C3)N)C#CC4=CC=C(C=C4)N)N |
|---|---|
| IUPAC Name | 4-[2-[3,5-bis[2-(4-aminophenyl)ethynyl]phenyl]ethynyl]aniline |
| InChIKey | DIHBEBXSUDAGON-UHFFFAOYSA-N |
| INCHI | 1S/C30H21N3/c31-28-13-7-22(8-14-28)1-4-25-19-26(5-2-23-9-15-29(32)16-10-23)21-27(20-25)6-3-24-11-17-30(33)18-12-24/h7-21H,31-33H2 |
| Isomeric SMILES | C1=CC(=CC=C1C#CC2=CC(=CC(=C2)C#CC3=CC=C(C=C3)N)C#CC4=CC=C(C=C4)N)N |
| Molecular Weight | 423.51 |
| Reaxy-Rn | 9882410 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9882410&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 | Phenylpropanoids and polyketides |
| Class | Diarylheptanoids |
| Subclass | Linear diarylheptanoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Linear diarylheptanoids |
| Alternative Parents | Aniline and substituted anilines Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Linear 1,7-diphenylheptane skeleton - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2515346 | Certificate of Analysis | Nov 28, 2025 | B303449 |
| L2515347 | Certificate of Analysis | Nov 28, 2025 | B303449 |
| I2418253 | Certificate of Analysis | Sep 06, 2024 | B303449 |
| I2418339 | Certificate of Analysis | Sep 06, 2024 | B303449 |
| I2418340 | Certificate of Analysis | Sep 06, 2024 | B303449 |
| I2418412 | Certificate of Analysis | Sep 06, 2024 | B303449 |
| Sensitivity | Light sensitive |
|---|---|
| Molecular Weight | 423.500 g/mol |
| XLogP3 | 5.900 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 423.174 Da |
| Monoisotopic Mass | 423.174 Da |
| Topological Polar Surface Area | 78.100 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 700.000 |
| 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 |
