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 | CCCCC(CC)CN1C(=O)C2=C3C(=CC(=C4C3=C(C=C2)C5=C(C=C6C7=C(C=CC4=C57)C(=O)N(C6=O)CC(CC)CCCC)Br)Br)C1=O |
|---|---|
| IUPAC Name | 11,22-dibromo-7,18-bis(2-ethylhexyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone |
| InChIKey | YGQFUAOYYKZQKI-UHFFFAOYSA-N |
| INCHI | 1S/C40H40Br2N2O4/c1-5-9-11-21(7-3)19-43-37(45)25-15-13-23-34-30(42)18-28-32-26(38(46)44(40(28)48)20-22(8-4)12-10-6-2)16-14-24(36(32)34)33-29(41)17-27(39(43)47)31(25)35(23)33/h13-18,21-22H,5-12,19-20H2,1-4H3 |
| Isomeric SMILES | CCCCC(CC)CN1C(=O)C2=C3C(=CC(=C4C3=C(C=C2)C5=C(C=C6C7=C(C=CC4=C57)C(=O)N(C6=O)CC(CC)CCCC)Br)Br)C1=O |
| Reaxy-Rn | 11071989 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11071989&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 Aryl bromides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Anthracene - Phenanthrene - Isoquinolone - Isoquinoline - Pyridinone - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - Lactam - Azacycle - Organoheterocyclic compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen 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 |
| Molecular Weight | 772.600 g/mol |
|---|---|
| XLogP3 | 11.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 12 |
| Exact Mass | 772.133 Da |
| Monoisotopic Mass | 770.135 Da |
| Topological Polar Surface Area | 74.800 Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 1170.000 |
| 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 |
