About N-phenyl-N-[2-[[4-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]pyridin-2-amine;platinum(2+)
N-phenyl-N-[2-[[4-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]pyridin-2-amine;platinum(2+) (PubChem CID 153431824) has the molecular formula C46H28N4OPtS2
and a molecular weight of 911.97 g/mol. Its IUPAC name is N-phenyl-N-[2-[[4-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]pyridin-2-amine;platinum(2+).
Molecular Properties
| Compound Name | N-phenyl-N-[2-[[4-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]pyridin-2-amine;platinum(2+) |
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| PubChem CID | 153431824 |
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| Molecular Formula | C46H28N4OPtS2 |
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| Molecular Weight | 911.97 g/mol |
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| Exact Mass | 911.14 |
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| IUPAC Name | N-phenyl-N-[2-[[4-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]pyridin-2-amine;platinum(2+) |
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| SMILES | [Pt+2].[c-]1c(Oc2[c-]c(N(c3ccccc3)c3ccccn3)c3sc4ccccc4c3c2)cc2c(sc3ccccc32)c1N(c1ccccc1)c1ccccn1 |
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| InChI | InChI=1S/C46H28N4OS2.Pt/c1-3-15-31(16-4-1)49(43-23-11-13-25-47-43)39-29-33(27-37-35-19-7-9-21-41(35)52-45(37)39)51-34-28-38-36-20-8-10-22-42(36)53-46(38)40(30-34)50(32-17-5-2-6-18-32)44-24-12-14-26-48-44;/h1-28H;/q-2;+2 |
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| InChIKey | KTGVLEZBIZMANF-UHFFFAOYSA-N |
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| XLogP | 13.54 |
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| TPSA | 41.49 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 54 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 911.97 |
| LogP ≤ 5 | 13.54 |
| 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-N-[2-[[4-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]pyridin-2-amine;platinum(2+) with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-phenyl-N-[2-[[4-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]pyridin-2-amine;platinum(2+)?
The IUPAC name of N-phenyl-N-[2-[[4-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]pyridin-2-amine;platinum(2+) (CID 153431824) is N-phenyl-N-[2-[[4-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]pyridin-2-amine;platinum(2+).
What is the SMILES notation for N-phenyl-N-[2-[[4-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]pyridin-2-amine;platinum(2+)?
The canonical SMILES for N-phenyl-N-[2-[[4-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]pyridin-2-amine;platinum(2+) is [Pt+2].[c-]1c(Oc2[c-]c(N(c3ccccc3)c3ccccn3)c3sc4ccccc4c3c2)cc2c(sc3ccccc32)c1N(c1ccccc1)c1ccccn1.
What is the InChIKey of N-phenyl-N-[2-[[4-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]pyridin-2-amine;platinum(2+)?
The InChIKey is KTGVLEZBIZMANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4OS2.Pt/c1-3-15-31(16-4-1)49(43-23-11-13-25-47-43)39-29-33(27-37-35-19-7-9-21-41(35)52-45(37)39)51-34-28-38-36-20-8-10-22-42(36)53-46(38)40(30-34)50(32-17-5-2-6-18-32)44-24-12-14-26-48-44;/h1-28H;/q-2;+2.
What are the key properties of N-phenyl-N-[2-[[4-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]pyridin-2-amine;platinum(2+)?
N-phenyl-N-[2-[[4-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]pyridin-2-amine;platinum(2+) has a molecular weight of 911.97 g/mol, XLogP of 13.54, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[2-[[4-(N-pyridin-2-ylanilino)-3H-dibenzothiophen-3-id-2-yl]oxy]-3H-dibenzothiophen-3-id-4-yl]pyridin-2-amine;platinum(2+) is sourced from PubChem (CID 153431824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).