About platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine
platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine (PubChem CID 153431905) has the molecular formula C34H18N2O3PtS2
and a molecular weight of 761.74 g/mol. Its IUPAC name is platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine.
Molecular Properties
| Compound Name | platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine |
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| PubChem CID | 153431905 |
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| Molecular Formula | C34H18N2O3PtS2 |
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| Molecular Weight | 761.74 g/mol |
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| Exact Mass | 761.04 |
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| IUPAC Name | platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine |
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| SMILES | [Pt+2].[c-]1c(Oc2[c-]c(Oc3ccccn3)c3sc4ccccc4c3c2)cc2c(sc3ccccc32)c1Oc1ccccn1 |
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| InChI | InChI=1S/C34H18N2O3S2.Pt/c1-3-11-29-23(9-1)25-17-21(19-27(33(25)40-29)38-31-13-5-7-15-35-31)37-22-18-26-24-10-2-4-12-30(24)41-34(26)28(20-22)39-32-14-6-8-16-36-32;/h1-18H;/q-2;+2 |
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| InChIKey | IYEIUWHOFTVZOX-UHFFFAOYSA-N |
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| XLogP | 10.19 |
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| TPSA | 53.47 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 761.74 |
| LogP ≤ 5 | 10.19 |
| 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 platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine with MolForge
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Frequently Asked Questions
What is the IUPAC name of platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine?
The IUPAC name of platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine (CID 153431905) is platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine.
What is the SMILES notation for platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine?
The canonical SMILES for platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine is [Pt+2].[c-]1c(Oc2[c-]c(Oc3ccccn3)c3sc4ccccc4c3c2)cc2c(sc3ccccc32)c1Oc1ccccn1.
What is the InChIKey of platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine?
The InChIKey is IYEIUWHOFTVZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18N2O3S2.Pt/c1-3-11-29-23(9-1)25-17-21(19-27(33(25)40-29)38-31-13-5-7-15-35-31)37-22-18-26-24-10-2-4-12-30(24)41-34(26)28(20-22)39-32-14-6-8-16-36-32;/h1-18H;/q-2;+2.
What are the key properties of platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine?
platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine has a molecular weight of 761.74 g/mol, XLogP of 10.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);2-[[2-[(4-pyridin-2-yloxy-3H-dibenzothiophen-3-id-2-yl)oxy]-3H-dibenzothiophen-3-id-4-yl]oxy]pyridine is sourced from PubChem (CID 153431905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).