for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CCCCCCN1C(=O)C2=CC(=C3C4=C2C(=C(C=C4C(=O)N(C3=O)CCCCCC)Br)C1=O)Br |
|---|---|
| IUPAC Name | 2,9-dibromo-6,13-dihexyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone |
| InChIKey | VMGCOHAXJKXGCC-UHFFFAOYSA-N |
| INCHI | 1S/C26H28Br2N2O4/c1-3-5-7-9-11-29-23(31)15-13-18(28)22-20-16(14-17(27)21(19(15)20)25(29)33)24(32)30(26(22)34)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3 |
| Isomeric SMILES | CCCCCCN1C(=O)C2=CC(=C3C4=C2C(=C(C=C4C(=O)N(C3=O)CCCCCC)Br)C1=O)Br |
| Reaxy-Rn | 22298688 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22298688&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Bipyridines and oligopyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Bipyridines and oligopyridines |
| Alternative Parents | Isoquinolones and derivatives Naphthalenes Pyridinones Aryl bromides Vinylogous halides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Bipyridine - Isoquinolone - Isoquinoline - Naphthalene - Pyridinone - Aryl bromide - Aryl halide - Benzenoid - Heteroaromatic compound - Vinylogous halide - Lactam - Azacycle - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organobromide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other. |
| External Descriptors | Not available |
| Molecular Weight | 592.300 g/mol |
|---|---|
| XLogP3 | 7.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 10 |
| Exact Mass | 592.04 Da |
| Monoisotopic Mass | 590.042 Da |
| Topological Polar Surface Area | 74.800 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 755.000 |
| 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 |
![4,9-Dibromo-2,7-dihexylbenzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone - CAS No(1239327-73-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/2/D290342.png)