≥95% 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 | C1C2C3=CC=CC=C3C(C1(C#N)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C25 |
|---|---|
| IUPAC Name | 15-cyano-N-(4-nitrophenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide |
| InChIKey | QKMWZJJOEMMGRF-UHFFFAOYSA-N |
| INCHI | 1S/C24H17N3O3/c25-14-24(23(28)26-15-9-11-16(12-10-15)27(29)30)13-21-17-5-1-3-7-19(17)22(24)20-8-4-2-6-18(20)21/h1-12,21-22H,13H2,(H,26,28) |
| Isomeric SMILES | C1C2C3=CC=CC=C3C(C1(C#N)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C25 |
| PubChem CID | 3407973 |
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 | Anthracenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anthracenes |
| Alternative Parents | Naphthalenecarboxamides Tetralins Nitrobenzenes Anilides Nitroaromatic compounds N-arylamides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Anthracene - 2-naphthalenecarboxamide - 2-naphthalenecarboxylic acid or derivatives - Tetralin - Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Monocyclic benzene moiety - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carbonitrile - Organic oxoazanium - Nitrile - Organic salt - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Cyanide - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic cation - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings. |
| External Descriptors | Not available |
| Molecular Weight | 395.400 g/mol |
|---|---|
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 395.127 Da |
| Monoisotopic Mass | 395.127 Da |
| Topological Polar Surface Area | 98.700 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 723.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
