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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCCCCN1C=C(C2=CC=CC=C21)CC3=CC=CC4=CC=CC=C43 |
|---|---|
| IUPAC Name | 3-(naphthalen-1-ylmethyl)-1-pentylindole |
| InChIKey | TYBRSILIYTUTSQ-UHFFFAOYSA-N |
| INCHI | 1S/C24H25N/c1-2-3-8-16-25-18-21(23-14-6-7-15-24(23)25)17-20-12-9-11-19-10-4-5-13-22(19)20/h4-7,9-15,18H,2-3,8,16-17H2,1H3 |
| Isomeric SMILES | CCCCCN1C=C(C2=CC=CC=C21)CC3=CC=CC4=CC=CC=C43 |
| PubChem CID | 56603534 |
| Molecular Weight | 327.46 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Naphthalenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthalenes |
| Alternative Parents | N-alkylindoles 3-alkylindoles Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-alkylindole - 3-alkylindole - Naphthalene - Indole or derivatives - Indole - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. |
| External Descriptors | Not available |
| Molecular Weight | 327.500 g/mol |
|---|---|
| XLogP3 | 6.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 6 |
| Exact Mass | 327.199 Da |
| Monoisotopic Mass | 327.199 Da |
| Topological Polar Surface Area | 4.900 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 405.000 |
| 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 |