About tris(platinum(2+));bis(2-pyridin-2-ylpyridine);bis(2-(3H-thiophen-3-id-2-yl)pyrazine);2-(3H-thiophen-3-id-2-yl)-3H-thiophen-3-ide;1-(trifluoromethyl)-3-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-4-ide
tris(platinum(2+));bis(2-pyridin-2-ylpyridine);bis(2-(3H-thiophen-3-id-2-yl)pyrazine);2-(3H-thiophen-3-id-2-yl)-3H-thiophen-3-ide;1-(trifluoromethyl)-3-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-4-ide (PubChem CID 158454311) has the molecular formula C58H36F6N8Pt3S4
and a molecular weight of 1672.47 g/mol. Its IUPAC name is tris(platinum(2+));bis(2-pyridin-2-ylpyridine);bis(2-(3H-thiophen-3-id-2-yl)pyrazine);2-(3H-thiophen-3-id-2-yl)-3H-thiophen-3-ide;1-(trifluoromethyl)-3-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-4-ide.
Molecular Properties
| Compound Name | tris(platinum(2+));bis(2-pyridin-2-ylpyridine);bis(2-(3H-thiophen-3-id-2-yl)pyrazine);2-(3H-thiophen-3-id-2-yl)-3H-thiophen-3-ide;1-(trifluoromethyl)-3-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-4-ide |
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| PubChem CID | 158454311 |
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| Molecular Formula | C58H36F6N8Pt3S4 |
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| Molecular Weight | 1672.47 g/mol |
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| Exact Mass | 1671.08 |
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| IUPAC Name | tris(platinum(2+));bis(2-pyridin-2-ylpyridine);bis(2-(3H-thiophen-3-id-2-yl)pyrazine);2-(3H-thiophen-3-id-2-yl)-3H-thiophen-3-ide;1-(trifluoromethyl)-3-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-4-ide |
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| SMILES | FC(F)(F)c1cc[c-]c(-c2[c-]ccc(C(F)(F)F)c2)c1.[Pt+2].[Pt+2].[Pt+2].[c-]1ccsc1-c1[c-]ccs1.[c-]1ccsc1-c1cnccn1.[c-]1ccsc1-c1cnccn1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
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| InChI | InChI=1S/C14H6F6.2C10H8N2.2C8H5N2S.C8H4S2.3Pt/c15-13(16,17)11-5-1-3-9(7-11)10-4-2-6-12(8-10)14(18,19)20;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-8(11-5-1)7-6-9-3-4-10-7;1-3-7(9-5-1)8-4-2-6-10-8;;;/h1-2,5-8H;2*1-8H;2*1,3-6H;1-2,5-6H;;;/q-2;;;2*-1;-2;3*+2 |
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| InChIKey | YAVRNLHAUBNSPZ-UHFFFAOYSA-N |
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| XLogP | 16.36 |
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| TPSA | 103.12 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 12 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 79 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 1672.47 |
| LogP ≤ 5 | 16.36 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Analyze tris(platinum(2+));bis(2-pyridin-2-ylpyridine);bis(2-(3H-thiophen-3-id-2-yl)pyrazine);2-(3H-thiophen-3-id-2-yl)-3H-thiophen-3-ide;1-(trifluoromethyl)-3-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-4-ide with MolForge
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Frequently Asked Questions
What is the IUPAC name of tris(platinum(2+));bis(2-pyridin-2-ylpyridine);bis(2-(3H-thiophen-3-id-2-yl)pyrazine);2-(3H-thiophen-3-id-2-yl)-3H-thiophen-3-ide;1-(trifluoromethyl)-3-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-4-ide?
The IUPAC name of tris(platinum(2+));bis(2-pyridin-2-ylpyridine);bis(2-(3H-thiophen-3-id-2-yl)pyrazine);2-(3H-thiophen-3-id-2-yl)-3H-thiophen-3-ide;1-(trifluoromethyl)-3-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-4-ide (CID 158454311) is tris(platinum(2+));bis(2-pyridin-2-ylpyridine);bis(2-(3H-thiophen-3-id-2-yl)pyrazine);2-(3H-thiophen-3-id-2-yl)-3H-thiophen-3-ide;1-(trifluoromethyl)-3-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-4-ide.
What is the SMILES notation for tris(platinum(2+));bis(2-pyridin-2-ylpyridine);bis(2-(3H-thiophen-3-id-2-yl)pyrazine);2-(3H-thiophen-3-id-2-yl)-3H-thiophen-3-ide;1-(trifluoromethyl)-3-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-4-ide?
The canonical SMILES for tris(platinum(2+));bis(2-pyridin-2-ylpyridine);bis(2-(3H-thiophen-3-id-2-yl)pyrazine);2-(3H-thiophen-3-id-2-yl)-3H-thiophen-3-ide;1-(trifluoromethyl)-3-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-4-ide is FC(F)(F)c1cc[c-]c(-c2[c-]ccc(C(F)(F)F)c2)c1.[Pt+2].[Pt+2].[Pt+2].[c-]1ccsc1-c1[c-]ccs1.[c-]1ccsc1-c1cnccn1.[c-]1ccsc1-c1cnccn1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of tris(platinum(2+));bis(2-pyridin-2-ylpyridine);bis(2-(3H-thiophen-3-id-2-yl)pyrazine);2-(3H-thiophen-3-id-2-yl)-3H-thiophen-3-ide;1-(trifluoromethyl)-3-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-4-ide?
The InChIKey is YAVRNLHAUBNSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F6.2C10H8N2.2C8H5N2S.C8H4S2.3Pt/c15-13(16,17)11-5-1-3-9(7-11)10-4-2-6-12(8-10)14(18,19)20;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*1-2-8(11-5-1)7-6-9-3-4-10-7;1-3-7(9-5-1)8-4-2-6-10-8;;;/h1-2,5-8H;2*1-8H;2*1,3-6H;1-2,5-6H;;;/q-2;;;2*-1;-2;3*+2.
What are the key properties of tris(platinum(2+));bis(2-pyridin-2-ylpyridine);bis(2-(3H-thiophen-3-id-2-yl)pyrazine);2-(3H-thiophen-3-id-2-yl)-3H-thiophen-3-ide;1-(trifluoromethyl)-3-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-4-ide?
tris(platinum(2+));bis(2-pyridin-2-ylpyridine);bis(2-(3H-thiophen-3-id-2-yl)pyrazine);2-(3H-thiophen-3-id-2-yl)-3H-thiophen-3-ide;1-(trifluoromethyl)-3-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-4-ide has a molecular weight of 1672.47 g/mol, XLogP of 16.36, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(platinum(2+));bis(2-pyridin-2-ylpyridine);bis(2-(3H-thiophen-3-id-2-yl)pyrazine);2-(3H-thiophen-3-id-2-yl)-3H-thiophen-3-ide;1-(trifluoromethyl)-3-[3-(trifluoromethyl)benzene-6-id-1-yl]benzene-4-ide is sourced from PubChem (CID 158454311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).