About 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+)
7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+) (PubChem CID 153428831) has the molecular formula C34H22N6OPt
and a molecular weight of 725.67 g/mol. Its IUPAC name is 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+).
Molecular Properties
| Compound Name | 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+) |
|---|
| PubChem CID | 153428831 |
|---|
| Molecular Formula | C34H22N6OPt |
|---|
| Molecular Weight | 725.67 g/mol |
|---|
| Exact Mass | 725.15 |
|---|
| IUPAC Name | 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+) |
|---|
| SMILES | Cn1c(-c2[c-]c(Oc3[c-]c(-c4nc5ccccc5n4C)cc4cnccc34)c3ccncc3c2)nc2ccccc21.[Pt+2] |
|---|
| InChI | InChI=1S/C34H22N6O.Pt/c1-39-29-9-5-3-7-27(29)37-33(39)21-15-23-19-35-13-11-25(23)31(17-21)41-32-18-22(16-24-20-36-14-12-26(24)32)34-38-28-8-4-6-10-30(28)40(34)2;/h3-16,19-20H,1-2H3;/q-2;+2 |
|---|
| InChIKey | PDJMEBGHTVRGOH-UHFFFAOYSA-N |
|---|
| XLogP | 7.28 |
|---|
| TPSA | 70.65 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 42 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 725.67 |
| LogP ≤ 5 | 7.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Analyze 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+) 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 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+)?
The IUPAC name of 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+) (CID 153428831) is 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+).
What is the SMILES notation for 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+)?
The canonical SMILES for 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+) is Cn1c(-c2[c-]c(Oc3[c-]c(-c4nc5ccccc5n4C)cc4cnccc34)c3ccncc3c2)nc2ccccc21.[Pt+2].
What is the InChIKey of 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+)?
The InChIKey is PDJMEBGHTVRGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N6O.Pt/c1-39-29-9-5-3-7-27(29)37-33(39)21-15-23-19-35-13-11-25(23)31(17-21)41-32-18-22(16-24-20-36-14-12-26(24)32)34-38-28-8-4-6-10-30(28)40(34)2;/h3-16,19-20H,1-2H3;/q-2;+2.
What are the key properties of 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+)?
7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+) has a molecular weight of 725.67 g/mol, XLogP of 7.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylbenzimidazol-2-yl)-5-[[7-(1-methylbenzimidazol-2-yl)-6H-isoquinolin-6-id-5-yl]oxy]-6H-isoquinolin-6-ide;platinum(2+) is sourced from PubChem (CID 153428831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).