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.
| Canonical Smiles | C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC=C(C=C4)C5=NC6=CC=CC=C6N5C7=CC=CC=C7)C8=C2C=CC(=C8)C9=CC=C(C=C9)C1=NC2=CC=CC=C2N1C1=CC=CC=C1 |
|---|---|
| IUPAC Name | 9-phenyl-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole |
| InChIKey | CWUOZRFIMAVZLO-UHFFFAOYSA-N |
| INCHI | 1S/C56H37N5/c1-4-14-44(15-5-1)59-51-34-32-42(38-24-28-40(29-25-38)55-57-49-20-10-12-22-53(49)60(55)45-16-6-2-7-17-45)36-47(51)48-37-43(33-35-52(48)59)39-26-30-41(31-27-39)56-58-50-21-11-13-23-54(50)61(56)46-18-8-3-9-19-46/h1-37H |
| Isomeric SMILES | C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC=C(C=C4)C5=NC6=CC=CC=C6N5C7=CC=CC=C7)C8=C2C=CC(=C8)C9=CC=C(C=C9)C1=NC2=CC=CC=C2N1C1=CC=CC=C1 |
| PubChem CID | 101525816 |
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 | Benzimidazoles |
| Subclass | Phenylbenzimidazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylbenzimidazoles |
| Alternative Parents | Carbazoles Phenylpyrroles Phenylimidazoles Indoles N-substituted imidazoles Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylbenzimidazole - Carbazole - 2-phenylimidazole - 1-phenylimidazole - 1-phenylpyrrole - Indole - Indole or derivatives - Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Substituted pyrrole - Heteroaromatic compound - Azole - Imidazole - Pyrrole - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group. |
| External Descriptors | Not available |
| Molecular Weight | 779.900 g/mol |
|---|---|
| XLogP3 | 13.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 779.305 Da |
| Monoisotopic Mass | 779.305 Da |
| Topological Polar Surface Area | 40.600 Ų |
| Heavy Atom Count | 61 |
| Formal Charge | 0 |
| Complexity | 1300.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Sublimed grade grade guide →
![9-Phenyl-3,6-bis(4-(1-phenyl-1H-benzo[d ]imidazol-2-yl)phenyl)-9H-carbazole - sublimed grade, ≥99%(HPLC) CAS No(1258780-50-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/P/2/P290053.png)