About 6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+)
6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) (PubChem CID 142328085) has the molecular formula C38H25N7OPt
and a molecular weight of 790.74 g/mol. Its IUPAC name is 6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+).
Molecular Properties
| Compound Name | 6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) |
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| PubChem CID | 142328085 |
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| Molecular Formula | C38H25N7OPt |
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| Molecular Weight | 790.74 g/mol |
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| Exact Mass | 790.18 |
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| IUPAC Name | 6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) |
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| SMILES | Cn1ccnc1-c1cc(-c2ccccn2)[c-]c(-n2c3[c-]c(-c4nc5ccc(-c6nccn6C)cc5o4)ccc3c3ccccc32)c1.[Pt+2] |
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| InChI | InChI=1S/C38H25N7O.Pt/c1-43-17-15-40-36(43)24-11-13-32-35(23-24)46-38(42-32)25-10-12-30-29-7-3-4-9-33(29)45(34(30)22-25)28-20-26(31-8-5-6-14-39-31)19-27(21-28)37-41-16-18-44(37)2;/h3-19,21,23H,1-2H3;/q-2;+2 |
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| InChIKey | SKVNEBHQGYCFDX-UHFFFAOYSA-N |
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| XLogP | 8.05 |
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| TPSA | 79.49 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 47 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 790.74 |
| LogP ≤ 5 | 8.05 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+)?
The IUPAC name of 6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) (CID 142328085) is 6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+).
What is the SMILES notation for 6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+)?
The canonical SMILES for 6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) is Cn1ccnc1-c1cc(-c2ccccn2)[c-]c(-n2c3[c-]c(-c4nc5ccc(-c6nccn6C)cc5o4)ccc3c3ccccc32)c1.[Pt+2].
What is the InChIKey of 6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+)?
The InChIKey is SKVNEBHQGYCFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N7O.Pt/c1-43-17-15-40-36(43)24-11-13-32-35(23-24)46-38(42-32)25-10-12-30-29-7-3-4-9-33(29)45(34(30)22-25)28-20-26(31-8-5-6-14-39-31)19-27(21-28)37-41-16-18-44(37)2;/h3-19,21,23H,1-2H3;/q-2;+2.
What are the key properties of 6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+)?
6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) has a molecular weight of 790.74 g/mol, XLogP of 8.05, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylimidazol-2-yl)-2-[9-[3-(1-methylimidazol-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) is sourced from PubChem (CID 142328085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).