About platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole
platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole (PubChem CID 153285595) has the molecular formula C36H21N7PtS
and a molecular weight of 778.76 g/mol. Its IUPAC name is platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole.
Molecular Properties
| Compound Name | platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole |
|---|
| PubChem CID | 153285595 |
|---|
| Molecular Formula | C36H21N7PtS |
|---|
| Molecular Weight | 778.76 g/mol |
|---|
| Exact Mass | 778.12 |
|---|
| IUPAC Name | platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole |
|---|
| SMILES | [Pt+2].[c-]1c(-c2ccc(-n3cccn3)cn2)ccc(-n2cccn2)c1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccccc21 |
|---|
| InChI | InChI=1S/C36H21N7S.Pt/c1-3-9-31-27(7-1)28-14-11-25(36-40-30-8-2-4-10-35(30)44-36)22-33(28)43(31)34-21-24(12-16-32(34)42-20-6-18-39-42)29-15-13-26(23-37-29)41-19-5-17-38-41;/h1-20,23H;/q-2;+2 |
|---|
| InChIKey | IANACXVEYMDYFB-UHFFFAOYSA-N |
|---|
| XLogP | 8.09 |
|---|
| TPSA | 66.35 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 45 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 778.76 |
| LogP ≤ 5 | 8.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Analyze platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole 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 platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole?
The IUPAC name of platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole (CID 153285595) is platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole.
What is the SMILES notation for platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole?
The canonical SMILES for platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole is [Pt+2].[c-]1c(-c2ccc(-n3cccn3)cn2)ccc(-n2cccn2)c1-n1c2[c-]c(-c3nc4ccccc4s3)ccc2c2ccccc21.
What is the InChIKey of platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole?
The InChIKey is IANACXVEYMDYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N7S.Pt/c1-3-9-31-27(7-1)28-14-11-25(36-40-30-8-2-4-10-35(30)44-36)22-33(28)43(31)34-21-24(12-16-32(34)42-20-6-18-39-42)29-15-13-26(23-37-29)41-19-5-17-38-41;/h1-20,23H;/q-2;+2.
What are the key properties of platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole?
platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole has a molecular weight of 778.76 g/mol, XLogP of 8.09, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 153285595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).