Dye content 85 % 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 | CC(C)(C)C1=CC2=NC3=C(C=C(N3)N=C4C(=CC(=N4)N=C5C(=CC(=N5)N=C1N2)C(C)(C)C)C(C)(C)C)C(C)(C)C |
|---|---|
| IUPAC Name | 4,9,14,19-tetratert-butyl-2,7,12,17,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(21),2,4,6,8,10,12,14,16(22),17,19-undecaene |
| InChIKey | DKCJDGYFHWIGBO-UHFFFAOYSA-N |
| INCHI | 1S/C32H42N8/c1-29(2,3)17-13-21-33-25(17)37-22-14-18(30(4,5)6)27(34-22)39-24-16-20(32(10,11)12)28(36-24)40-23-15-19(31(7,8)9)26(35-23)38-21/h13-16H,1-12H3,(H2,33,34,35,36,37,38,39,40) |
| Molecular Weight | 538.700 |
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 | Organoheterocyclic compounds |
| Class | Pyrroles |
| Subclass | Substituted pyrroles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Substituted pyrroles |
| Alternative Parents | Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Substituted pyrrole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions. |
| External Descriptors | Not available |
| Molecular Weight | 538.700 g/mol |
|---|---|
| XLogP3 | 8.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 538.353 Da |
| Monoisotopic Mass | 538.353 Da |
| Topological Polar Surface Area | 109.000 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 879.000 |
| 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 |
