About 2-[8-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+)
2-[8-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) (PubChem CID 153285619) has the molecular formula C34H21N5OPt
and a molecular weight of 710.65 g/mol. Its IUPAC name is 2-[8-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+).
Molecular Properties
| Compound Name | 2-[8-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) |
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| PubChem CID | 153285619 |
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| Molecular Formula | C34H21N5OPt |
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| Molecular Weight | 710.65 g/mol |
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| Exact Mass | 710.14 |
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| IUPAC Name | 2-[8-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) |
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| SMILES | Cn1ccnc1-c1cccc2c3ccc(-c4nc5ccccc5o4)[c-]c3n(-c3[c-]c(-c4ccccn4)ccc3)c12.[Pt+2] |
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| InChI | InChI=1S/C34H21N5O.Pt/c1-38-19-18-36-33(38)27-11-7-10-26-25-16-15-23(34-37-29-13-2-3-14-31(29)40-34)21-30(25)39(32(26)27)24-9-6-8-22(20-24)28-12-4-5-17-35-28;/h2-19H,1H3;/q-2;+2 |
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| InChIKey | OSZOJUHTIDRCME-UHFFFAOYSA-N |
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| XLogP | 7.65 |
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| TPSA | 61.67 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 | 41 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 710.65 |
| LogP ≤ 5 | 7.65 |
| 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 2-[8-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[8-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+)?
The IUPAC name of 2-[8-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) (CID 153285619) is 2-[8-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+).
What is the SMILES notation for 2-[8-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+)?
The canonical SMILES for 2-[8-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) is Cn1ccnc1-c1cccc2c3ccc(-c4nc5ccccc5o4)[c-]c3n(-c3[c-]c(-c4ccccn4)ccc3)c12.[Pt+2].
What is the InChIKey of 2-[8-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+)?
The InChIKey is OSZOJUHTIDRCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N5O.Pt/c1-38-19-18-36-33(38)27-11-7-10-26-25-16-15-23(34-37-29-13-2-3-14-31(29)40-34)21-30(25)39(32(26)27)24-9-6-8-22(20-24)28-12-4-5-17-35-28;/h2-19H,1H3;/q-2;+2.
What are the key properties of 2-[8-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+)?
2-[8-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) has a molecular weight of 710.65 g/mol, XLogP of 7.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;platinum(2+) is sourced from PubChem (CID 153285619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).