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sublimed grade, ≥99%(HPLC) Sublimed grade 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.
| Sonrisas canónicas | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C5=CC=C(C=C5)N(C6=CC=C(C=C6)C7=C8C=CC9=CC=CC1=C9C8=C(C=C1)C=C7)C1=CC=C(C=C1)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1 |
|---|---|
| IUPAC Name | 4-pyren-1-yl-N,N-bis(4-pyren-1-ylphenyl)aniline |
| InChIKey | SKODVKMYBGXHOZ-UHFFFAOYSA-N |
| INCHI | 1S/C66H39N/c1-4-43-10-13-49-22-34-55(58-37-25-46(7-1)61(43)64(49)58)40-16-28-52(29-17-40)67(53-30-18-41(19-31-53)56-35-23-50-14-11-44-5-2-8-47-26-38-59(56)65(50)62(44)47)54-32-20-42(21-33-54)57-36-24-51-15-12-45-6-3-9-48-27-39-60(57)66(51)63(45)48/h1-39H |
| Isómeros SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C5=CC=C(C=C5)N(C6=CC=C(C=C6)C7=C8C=CC9=CC=CC1=C9C8=C(C=C1)C=C7)C1=CC=C(C=C1)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1 |
| PubChem CID | 51358303 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Pyrenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrenes |
| Alternative Parents | Triarylamines Phenylnaphthalenes Phenanthrenes and derivatives Aniline and substituted anilines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Tertiary aromatic amine - Pyrene - Phenylnaphthalene - Phenanthrene - Naphthalene - Aniline or substituted anilines - Monocyclic benzene moiety - Tertiary amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homopolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system. |
| External Descriptors | Not available |
| Peso molecular | 846.000 g/mol |
|---|---|
| XLogP3 | 19.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 6 |
| Exact Mass | 845.308 Da |
| Monoisotopic Mass | 845.308 Da |
| Topological Polar Surface Area | 3.200 Ų |
| Heavy Atom Count | 67 |
| Formal Charge | 0 |
| Complexity | 1500.000 |
| 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 |
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