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sublimed grade 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.
Description
Electron transport and hole blocking material in organic light emitting diodes (OLED).}
| Canonical Smiles | CC(C)(C)C1=CC2=C3C(=C1)C=C(C=C3C4=CC(=CC5=CC(=CC2=C54)C(C)(C)C)C(C)(C)C)C(C)(C)C |
|---|---|
| IUPAC Name | 2,5,8,11-tetratert-butylperylene |
| InChIKey | BFTIPCRZWILUIY-UHFFFAOYSA-N |
| INCHI | 1S/C36H44/c1-33(2,3)23-13-21-14-24(34(4,5)6)19-29-30-20-26(36(10,11)12)16-22-15-25(35(7,8)9)18-28(32(22)30)27(17-23)31(21)29/h13-20H,1-12H3 |
| Isomeric SMILES | CC(C)(C)C1=CC2=C3C(=C1)C=C(C=C3C4=CC(=CC5=CC(=CC2=C54)C(C)(C)C)C(C)(C)C)C(C)(C)C |
| Molecular Weight | 476.75 |
| Reaxy-Rn | 4208237 |
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 |
| Class | Phenanthrenes and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenanthrenes and derivatives |
| Alternative Parents | Anthracenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Phenanthrene - Anthracene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic 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 |
| Melt Point(°C) | 312°C(lit.) |
|---|---|
| Molecular Weight | 476.700 g/mol |
| XLogP3 | 12.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 4 |
| Exact Mass | 476.344 Da |
| Monoisotopic Mass | 476.344 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 658.000 |
| 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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