≥90% 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 | CCCCN(CCCC)C1=CC=C(C=C1)C2(C=CC3=C(O2)C=CC4=C3C5=CC=CC=C5N4CC)C6=CC=CC=C6F |
|---|---|
| IUPAC Name | N,N-dibutyl-4-[7-ethyl-3-(2-fluorophenyl)pyrano[2,3-c]carbazol-3-yl]aniline |
| InChIKey | BEFZVPFHTUHFMF-UHFFFAOYSA-N |
| INCHI | 1S/C37H39FN2O/c1-4-7-25-39(26-8-5-2)28-19-17-27(18-20-28)37(31-14-10-11-15-32(31)38)24-23-30-35(41-37)22-21-34-36(30)29-13-9-12-16-33(29)40(34)6-3/h9-24H,4-8,25-26H2,1-3H3 |
| Isomeric SMILES | CCCCN(CCCC)C1=CC=C(C=C1)C2(C=CC3=C(O2)C=CC4=C3C5=CC=CC=C5N4CC)C6=CC=CC=C6F |
| PubChem CID | 74889303 |
| Molecular Weight | 546.71 |
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 | Phenylpropanoids and polyketides |
| Class | Flavonoids |
| Subclass | Flav-3-enes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Flav-3-enes |
| Alternative Parents | Carbazoles Diphenylmethanes 1-benzopyrans N-alkylindoles Indoles Aniline and substituted anilines Dialkylarylamines Alkyl aryl ethers Fluorobenzenes Aryl fluorides Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organofluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Flav-3-ene - Carbazole - Diphenylmethane - N-alkylindole - Benzopyran - 1-benzopyran - Indole or derivatives - Indole - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as flav-3-enes. These are flavonoids with a structure based on the 2-phenylchromene skeleton, with a double bond between the C3 and C4 carbon atoms of the chromene moiety. |
| External Descriptors | Not available |
| Molecular Weight | 546.700 g/mol |
|---|---|
| XLogP3 | 9.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 10 |
| Exact Mass | 546.305 Da |
| Monoisotopic Mass | 546.305 Da |
| Topological Polar Surface Area | 17.400 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 848.000 |
| 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 |
![N,N-Dibutyl-4-(7-ethyl-3-(2-fluorophenyl)-3,7-dihydropyrano[2,3-c]carbazol-3-yl)benzenamine - ≥90% , CAS No.1160994-29-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)