About 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)phenyl]dibenzoselenophen-1-yl]triazine
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)phenyl]dibenzoselenophen-1-yl]triazine (PubChem CID 166134544) has the molecular formula C54H37N3Se
and a molecular weight of 806.87 g/mol. Its IUPAC name is 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)phenyl]dibenzoselenophen-1-yl]triazine.
Molecular Properties
| Compound Name | 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)phenyl]dibenzoselenophen-1-yl]triazine |
|---|
| PubChem CID | 166134544 |
|---|
| Molecular Formula | C54H37N3Se |
|---|
| Molecular Weight | 806.87 g/mol |
|---|
| Exact Mass | 807.22 |
|---|
| IUPAC Name | 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)phenyl]dibenzoselenophen-1-yl]triazine |
|---|
| SMILES | Cc1cc2c(c(-c3c(-c4ccccc4)nnnc3-c3c(-c4ccccc4-c4ccccc4-c4ccccc4)ccc4[se]c5ccccc5c34)c1C)Cc1ccccc1-2 |
|---|
| InChI | InChI=1S/C54H37N3Se/c1-33-31-45-39-23-10-9-21-37(39)32-46(45)49(34(33)2)52-53(36-19-7-4-8-20-36)55-57-56-54(52)51-43(29-30-48-50(51)44-27-15-16-28-47(44)58-48)42-26-14-13-25-41(42)40-24-12-11-22-38(40)35-17-5-3-6-18-35/h3-31H,32H2,1-2H3 |
|---|
| InChIKey | FIPPJKQFPOHEMB-UHFFFAOYSA-N |
|---|
| XLogP | 13.43 |
|---|
| TPSA | 38.67 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 3 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 58 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 806.87 |
| LogP ≤ 5 | 13.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)phenyl]dibenzoselenophen-1-yl]triazine with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)phenyl]dibenzoselenophen-1-yl]triazine?
The IUPAC name of 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)phenyl]dibenzoselenophen-1-yl]triazine (CID 166134544) is 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)phenyl]dibenzoselenophen-1-yl]triazine.
What is the SMILES notation for 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)phenyl]dibenzoselenophen-1-yl]triazine?
The canonical SMILES for 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)phenyl]dibenzoselenophen-1-yl]triazine is Cc1cc2c(c(-c3c(-c4ccccc4)nnnc3-c3c(-c4ccccc4-c4ccccc4-c4ccccc4)ccc4[se]c5ccccc5c34)c1C)Cc1ccccc1-2.
What is the InChIKey of 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)phenyl]dibenzoselenophen-1-yl]triazine?
The InChIKey is FIPPJKQFPOHEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3Se/c1-33-31-45-39-23-10-9-21-37(39)32-46(45)49(34(33)2)52-53(36-19-7-4-8-20-36)55-57-56-54(52)51-43(29-30-48-50(51)44-27-15-16-28-47(44)58-48)42-26-14-13-25-41(42)40-24-12-11-22-38(40)35-17-5-3-6-18-35/h3-31H,32H2,1-2H3.
What are the key properties of 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)phenyl]dibenzoselenophen-1-yl]triazine?
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)phenyl]dibenzoselenophen-1-yl]triazine has a molecular weight of 806.87 g/mol, XLogP of 13.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)phenyl]dibenzoselenophen-1-yl]triazine is sourced from PubChem (CID 166134544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).