About N-[2-[[4-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum
N-[2-[[4-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum (PubChem CID 153431898) has the molecular formula C39H25N4OPtS2-3
and a molecular weight of 824.87 g/mol. Its IUPAC name is N-[2-[[4-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum.
Molecular Properties
| Compound Name | N-[2-[[4-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum |
|---|
| PubChem CID | 153431898 |
|---|
| Molecular Formula | C39H25N4OPtS2-3 |
|---|
| Molecular Weight | 824.87 g/mol |
|---|
| Exact Mass | 824.11 |
|---|
| IUPAC Name | N-[2-[[4-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum |
|---|
| SMILES | CN1C=CN(c2[c-]c(Oc3[c-]c(N(c4ccccc4)c4ccccn4)c4sc5ccccc5c4c3)cc3c2sc2ccccc23)[CH-]1.[Pt] |
|---|
| InChI | InChI=1S/C39H25N4OS2.Pt/c1-41-19-20-42(25-41)33-23-27(21-31-29-13-5-7-15-35(29)45-38(31)33)44-28-22-32-30-14-6-8-16-36(30)46-39(32)34(24-28)43(26-11-3-2-4-12-26)37-17-9-10-18-40-37;/h2-22,25H,1H3;/q-3; |
|---|
| InChIKey | UGHGPOMEPQHHTE-UHFFFAOYSA-N |
|---|
| XLogP | 11.02 |
|---|
| TPSA | 31.84 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 47 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 824.87 |
| LogP ≤ 5 | 11.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Analyze N-[2-[[4-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum 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 N-[2-[[4-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum?
The IUPAC name of N-[2-[[4-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum (CID 153431898) is N-[2-[[4-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum.
What is the SMILES notation for N-[2-[[4-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum?
The canonical SMILES for N-[2-[[4-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum is CN1C=CN(c2[c-]c(Oc3[c-]c(N(c4ccccc4)c4ccccn4)c4sc5ccccc5c4c3)cc3c2sc2ccccc23)[CH-]1.[Pt].
What is the InChIKey of N-[2-[[4-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum?
The InChIKey is UGHGPOMEPQHHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N4OS2.Pt/c1-41-19-20-42(25-41)33-23-27(21-31-29-13-5-7-15-35(29)45-38(31)33)44-28-22-32-30-14-6-8-16-36(30)46-39(32)34(24-28)43(26-11-3-2-4-12-26)37-17-9-10-18-40-37;/h2-22,25H,1H3;/q-3;.
What are the key properties of N-[2-[[4-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum?
N-[2-[[4-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum has a molecular weight of 824.87 g/mol, XLogP of 11.02, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(3-methyl-2H-imidazol-2-id-1-yl)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]-N-phenylpyridin-2-amine;platinum is sourced from PubChem (CID 153431898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).