About 3-methyl-N-naphthalen-1-ylfluoren-9-imine
3-methyl-N-naphthalen-1-ylfluoren-9-imine (PubChem CID 3963334) has the molecular formula C24H17N
and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-methyl-N-naphthalen-1-ylfluoren-9-imine.
Molecular Properties
| Compound Name | 3-methyl-N-naphthalen-1-ylfluoren-9-imine |
| PubChem CID | 3963334 |
| Molecular Formula | C24H17N |
| Molecular Weight | 319.41 g/mol |
| Exact Mass | 319.14 |
| IUPAC Name | 3-methyl-N-naphthalen-1-ylfluoren-9-imine |
| SMILES | Cc1ccc2c(c1)-c1ccccc1/C2=N\c1cccc2ccccc12 |
| InChI | InChI=1S/C24H17N/c1-16-13-14-21-22(15-16)19-10-4-5-11-20(19)24(21)25-23-12-6-8-17-7-2-3-9-18(17)23/h2-15H,1H3/b25-24+ |
| InChIKey | TWADIVAHKFPUBO-OCOZRVBESA-N |
| XLogP | 6.30 |
| TPSA | 12.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 25 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 319.41 |
| LogP ≤ 5 | 6.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 3-methyl-N-naphthalen-1-ylfluoren-9-imine?
The IUPAC name of 3-methyl-N-naphthalen-1-ylfluoren-9-imine (CID 3963334) is 3-methyl-N-naphthalen-1-ylfluoren-9-imine.
What is the SMILES notation for 3-methyl-N-naphthalen-1-ylfluoren-9-imine?
The canonical SMILES for 3-methyl-N-naphthalen-1-ylfluoren-9-imine is Cc1ccc2c(c1)-c1ccccc1/C2=N\c1cccc2ccccc12.
What is the InChIKey of 3-methyl-N-naphthalen-1-ylfluoren-9-imine?
The InChIKey is TWADIVAHKFPUBO-OCOZRVBESA-N. The full InChI is InChI=1S/C24H17N/c1-16-13-14-21-22(15-16)19-10-4-5-11-20(19)24(21)25-23-12-6-8-17-7-2-3-9-18(17)23/h2-15H,1H3/b25-24+.
What are the key properties of 3-methyl-N-naphthalen-1-ylfluoren-9-imine?
3-methyl-N-naphthalen-1-ylfluoren-9-imine has a molecular weight of 319.41 g/mol, XLogP of 6.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-naphthalen-1-ylfluoren-9-imine is sourced from PubChem (CID 3963334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).