About 2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-2-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-2-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 155049940) has the molecular formula C49H31N5OS
and a molecular weight of 737.89 g/mol. Its IUPAC name is 2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-2-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
Molecular Properties
| Compound Name | 2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-2-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine |
|---|
| PubChem CID | 155049940 |
|---|
| Molecular Formula | C49H31N5OS |
|---|
| Molecular Weight | 737.89 g/mol |
|---|
| Exact Mass | 737.22 |
|---|
| IUPAC Name | 2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-2-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine |
|---|
| SMILES | c1ccc(Oc2cnc(-c3cccc4c3sc3ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)cc34)nc2-c2ccccc2)cc1 |
|---|
| InChI | InChI=1S/C49H31N5OS/c1-5-15-32(16-6-1)35-21-13-22-36(29-35)47-52-46(34-19-9-3-10-20-34)53-48(54-47)37-27-28-43-41(30-37)39-25-14-26-40(45(39)56-43)49-50-31-42(55-38-23-11-4-12-24-38)44(51-49)33-17-7-2-8-18-33/h1-31H |
|---|
| InChIKey | YGCCSVXVNQTJAU-UHFFFAOYSA-N |
|---|
| XLogP | 12.82 |
|---|
| TPSA | 73.68 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 56 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 737.89 |
| LogP ≤ 5 | 12.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze 2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-2-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-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 2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-2-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-2-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 155049940) is 2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-2-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-2-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-2-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(Oc2cnc(-c3cccc4c3sc3ccc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccccc7)c6)n5)cc34)nc2-c2ccccc2)cc1.
What is the InChIKey of 2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-2-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is YGCCSVXVNQTJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N5OS/c1-5-15-32(16-6-1)35-21-13-22-36(29-35)47-52-46(34-19-9-3-10-20-34)53-48(54-47)37-27-28-43-41(30-37)39-25-14-26-40(45(39)56-43)49-50-31-42(55-38-23-11-4-12-24-38)44(51-49)33-17-7-2-8-18-33/h1-31H.
What are the key properties of 2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-2-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-2-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 737.89 g/mol, XLogP of 12.82, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-phenoxy-4-phenylpyrimidin-2-yl)dibenzothiophen-2-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155049940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).