≥98%(N) 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.
| Pubchem Sid | 488202438 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488202438 |
| Canonical Smiles | CCCCC(CC)CN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CC(CC)CCCC)C1=O |
| IUPAC Name | 7,18-bis(2-ethylhexyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone |
| InChIKey | WEHOVFLILUDUKQ-UHFFFAOYSA-N |
| INCHI | 1S/C40H42N2O4/c1-5-9-11-23(7-3)21-41-37(43)29-17-13-25-27-15-19-31-36-32(40(46)42(39(31)45)22-24(8-4)12-10-6-2)20-16-28(34(27)36)26-14-18-30(38(41)44)35(29)33(25)26/h13-20,23-24H,5-12,21-22H2,1-4H3 |
| Isomeric SMILES | CCCCC(CC)CN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CC(CC)CCCC)C1=O |
| Molecular Weight | 614.79 |
| Reaxy-Rn | 5368828 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5368828&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 | Benzenoids |
| Class | Phenanthrenes and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenanthrenes and derivatives |
| Alternative Parents | Anthracenes Isoquinolones and derivatives Pyridinones Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Anthracene - Phenanthrene - Isoquinolone - Isoquinoline - Pyridinone - Pyridine - Heteroaromatic compound - Lactam - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene. |
| 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 |
|---|---|---|---|
 B2316291 | Certificate of Analysis | Aug 15, 2022 | N159794 |
| B2316305 | Certificate of Analysis | Aug 15, 2022 | N159794 |
| B2316326 | Certificate of Analysis | Aug 15, 2022 | N159794 |
| B2316369 | Certificate of Analysis | Aug 15, 2022 | N159794 |
| Sensitivity | Light Sensitive |
|---|---|
| Molecular Weight | 614.800 g/mol |
| XLogP3 | 10.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 12 |
| Exact Mass | 614.314 Da |
| Monoisotopic Mass | 614.314 Da |
| Topological Polar Surface Area | 74.800 Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 1030.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
