About 2-[6-(2,6-dimethylphenyl)-2-[3-(4-phenylphenyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]pyrimidin-4-yl]phenol;platinum
2-[6-(2,6-dimethylphenyl)-2-[3-(4-phenylphenyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]pyrimidin-4-yl]phenol;platinum (PubChem CID 153280227) has the molecular formula C41H30N3O2Pt-
and a molecular weight of 791.79 g/mol. Its IUPAC name is 2-[6-(2,6-dimethylphenyl)-2-[3-(4-phenylphenyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]pyrimidin-4-yl]phenol;platinum.
Molecular Properties
| Compound Name | 2-[6-(2,6-dimethylphenyl)-2-[3-(4-phenylphenyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]pyrimidin-4-yl]phenol;platinum |
|---|
| PubChem CID | 153280227 |
|---|
| Molecular Formula | C41H30N3O2Pt- |
|---|
| Molecular Weight | 791.79 g/mol |
|---|
| Exact Mass | 791.20 |
|---|
| IUPAC Name | 2-[6-(2,6-dimethylphenyl)-2-[3-(4-phenylphenyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]pyrimidin-4-yl]phenol;platinum |
|---|
| SMILES | Cc1cccc(C)c1-c1cc(-c2ccccc2O)nc(-c2[c-]c(Oc3ccccn3)cc(-c3ccc(-c4ccccc4)cc3)c2)n1.[Pt] |
|---|
| InChI | InChI=1S/C41H30N3O2.Pt/c1-27-11-10-12-28(2)40(27)37-26-36(35-15-6-7-16-38(35)45)43-41(44-37)33-23-32(24-34(25-33)46-39-17-8-9-22-42-39)31-20-18-30(19-21-31)29-13-4-3-5-14-29;/h3-24,26,45H,1-2H3;/q-1; |
|---|
| InChIKey | KUINFUIJNGSSFC-UHFFFAOYSA-N |
|---|
| XLogP | 10.12 |
|---|
| TPSA | 68.13 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 47 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 791.79 |
| LogP ≤ 5 | 10.12 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Analyze 2-[6-(2,6-dimethylphenyl)-2-[3-(4-phenylphenyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]pyrimidin-4-yl]phenol;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 2-[6-(2,6-dimethylphenyl)-2-[3-(4-phenylphenyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]pyrimidin-4-yl]phenol;platinum?
The IUPAC name of 2-[6-(2,6-dimethylphenyl)-2-[3-(4-phenylphenyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]pyrimidin-4-yl]phenol;platinum (CID 153280227) is 2-[6-(2,6-dimethylphenyl)-2-[3-(4-phenylphenyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]pyrimidin-4-yl]phenol;platinum.
What is the SMILES notation for 2-[6-(2,6-dimethylphenyl)-2-[3-(4-phenylphenyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]pyrimidin-4-yl]phenol;platinum?
The canonical SMILES for 2-[6-(2,6-dimethylphenyl)-2-[3-(4-phenylphenyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]pyrimidin-4-yl]phenol;platinum is Cc1cccc(C)c1-c1cc(-c2ccccc2O)nc(-c2[c-]c(Oc3ccccn3)cc(-c3ccc(-c4ccccc4)cc3)c2)n1.[Pt].
What is the InChIKey of 2-[6-(2,6-dimethylphenyl)-2-[3-(4-phenylphenyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]pyrimidin-4-yl]phenol;platinum?
The InChIKey is KUINFUIJNGSSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N3O2.Pt/c1-27-11-10-12-28(2)40(27)37-26-36(35-15-6-7-16-38(35)45)43-41(44-37)33-23-32(24-34(25-33)46-39-17-8-9-22-42-39)31-20-18-30(19-21-31)29-13-4-3-5-14-29;/h3-24,26,45H,1-2H3;/q-1;.
What are the key properties of 2-[6-(2,6-dimethylphenyl)-2-[3-(4-phenylphenyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]pyrimidin-4-yl]phenol;platinum?
2-[6-(2,6-dimethylphenyl)-2-[3-(4-phenylphenyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]pyrimidin-4-yl]phenol;platinum has a molecular weight of 791.79 g/mol, XLogP of 10.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,6-dimethylphenyl)-2-[3-(4-phenylphenyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]pyrimidin-4-yl]phenol;platinum is sourced from PubChem (CID 153280227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).