About N-phenyl-4-pyridin-2-yloxy-N-(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)-3H-dibenzothiophen-3-id-2-amine;platinum(2+)
N-phenyl-4-pyridin-2-yloxy-N-(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)-3H-dibenzothiophen-3-id-2-amine;platinum(2+) (PubChem CID 153431985) has the molecular formula C40H23N3O2PtS2
and a molecular weight of 836.86 g/mol. Its IUPAC name is N-phenyl-4-pyridin-2-yloxy-N-(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)-3H-dibenzothiophen-3-id-2-amine;platinum(2+).
Molecular Properties
| Compound Name | N-phenyl-4-pyridin-2-yloxy-N-(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)-3H-dibenzothiophen-3-id-2-amine;platinum(2+) |
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| PubChem CID | 153431985 |
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| Molecular Formula | C40H23N3O2PtS2 |
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| Molecular Weight | 836.86 g/mol |
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| Exact Mass | 836.09 |
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| IUPAC Name | N-phenyl-4-pyridin-2-yloxy-N-(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)-3H-dibenzothiophen-3-id-2-amine;platinum(2+) |
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| SMILES | [Pt+2].[c-]1c(N(c2[c-]c(Oc3ccccn3)c3sc4ccccc4c3c2)c2ccccc2)cc2c(sc3ccccc32)c1Oc1ccccn1 |
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| InChI | InChI=1S/C40H23N3O2S2.Pt/c1-2-12-26(13-3-1)43(27-22-31-29-14-4-6-16-35(29)46-39(31)33(24-27)44-37-18-8-10-20-41-37)28-23-32-30-15-5-7-17-36(30)47-40(32)34(25-28)45-38-19-9-11-21-42-38;/h1-23H;/q-2;+2 |
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| InChIKey | FMSRXOCVCFGWIN-UHFFFAOYSA-N |
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| XLogP | 11.86 |
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| TPSA | 47.48 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 48 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 836.86 |
| LogP ≤ 5 | 11.86 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Analyze N-phenyl-4-pyridin-2-yloxy-N-(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)-3H-dibenzothiophen-3-id-2-amine;platinum(2+) with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-phenyl-4-pyridin-2-yloxy-N-(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)-3H-dibenzothiophen-3-id-2-amine;platinum(2+)?
The IUPAC name of N-phenyl-4-pyridin-2-yloxy-N-(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)-3H-dibenzothiophen-3-id-2-amine;platinum(2+) (CID 153431985) is N-phenyl-4-pyridin-2-yloxy-N-(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)-3H-dibenzothiophen-3-id-2-amine;platinum(2+).
What is the SMILES notation for N-phenyl-4-pyridin-2-yloxy-N-(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)-3H-dibenzothiophen-3-id-2-amine;platinum(2+)?
The canonical SMILES for N-phenyl-4-pyridin-2-yloxy-N-(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)-3H-dibenzothiophen-3-id-2-amine;platinum(2+) is [Pt+2].[c-]1c(N(c2[c-]c(Oc3ccccn3)c3sc4ccccc4c3c2)c2ccccc2)cc2c(sc3ccccc32)c1Oc1ccccn1.
What is the InChIKey of N-phenyl-4-pyridin-2-yloxy-N-(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)-3H-dibenzothiophen-3-id-2-amine;platinum(2+)?
The InChIKey is FMSRXOCVCFGWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N3O2S2.Pt/c1-2-12-26(13-3-1)43(27-22-31-29-14-4-6-16-35(29)46-39(31)33(24-27)44-37-18-8-10-20-41-37)28-23-32-30-15-5-7-17-36(30)47-40(32)34(25-28)45-38-19-9-11-21-42-38;/h1-23H;/q-2;+2.
What are the key properties of N-phenyl-4-pyridin-2-yloxy-N-(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)-3H-dibenzothiophen-3-id-2-amine;platinum(2+)?
N-phenyl-4-pyridin-2-yloxy-N-(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)-3H-dibenzothiophen-3-id-2-amine;platinum(2+) has a molecular weight of 836.86 g/mol, XLogP of 11.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-pyridin-2-yloxy-N-(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)-3H-dibenzothiophen-3-id-2-amine;platinum(2+) is sourced from PubChem (CID 153431985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).