About 5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+)
5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+) (PubChem CID 140730090) has the molecular formula C36H21N5PtS
and a molecular weight of 750.74 g/mol. Its IUPAC name is 5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+).
Molecular Properties
| Compound Name | 5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+) |
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| PubChem CID | 140730090 |
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| Molecular Formula | C36H21N5PtS |
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| Molecular Weight | 750.74 g/mol |
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| Exact Mass | 750.12 |
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| IUPAC Name | 5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+) |
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| SMILES | [Pt+2].[c-]1c(-n2cccn2)cccc1-n1c2[c-]c(-c3ncc(-n4c5ccccc5c5ccccc54)s3)ccc2c2ccccc21 |
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| InChI | InChI=1S/C36H21N5S.Pt/c1-4-14-31-29(13-1)30-18-17-24(21-34(30)40(31)26-10-7-9-25(22-26)39-20-8-19-38-39)36-37-23-35(42-36)41-32-15-5-2-11-27(32)28-12-3-6-16-33(28)41;/h1-20,23H;/q-2;+2 |
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| InChIKey | SHESVROIRSYJGB-UHFFFAOYSA-N |
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| XLogP | 8.79 |
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| TPSA | 40.57 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 43 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 750.74 |
| LogP ≤ 5 | 8.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Analyze 5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+) with MolForge
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Frequently Asked Questions
What is the IUPAC name of 5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+)?
The IUPAC name of 5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+) (CID 140730090) is 5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+).
What is the SMILES notation for 5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+)?
The canonical SMILES for 5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+) is [Pt+2].[c-]1c(-n2cccn2)cccc1-n1c2[c-]c(-c3ncc(-n4c5ccccc5c5ccccc54)s3)ccc2c2ccccc21.
What is the InChIKey of 5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+)?
The InChIKey is SHESVROIRSYJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N5S.Pt/c1-4-14-31-29(13-1)30-18-17-24(21-34(30)40(31)26-10-7-9-25(22-26)39-20-8-19-38-39)36-37-23-35(42-36)41-32-15-5-2-11-27(32)28-12-3-6-16-33(28)41;/h1-20,23H;/q-2;+2.
What are the key properties of 5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+)?
5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+) has a molecular weight of 750.74 g/mol, XLogP of 8.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-2-[9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-thiazole;platinum(2+) is sourced from PubChem (CID 140730090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).