About acetonitrile;bis(antimony(3+));hexakis(trifluoromethanesulfonate);bis(tripyridin-2-ylphosphane)
acetonitrile;bis(antimony(3+));hexakis(trifluoromethanesulfonate);bis(tripyridin-2-ylphosphane) (PubChem CID 139170850) has the molecular formula C38H27F18N7O18P2S6Sb2
and a molecular weight of 1709.50 g/mol. Its IUPAC name is acetonitrile;bis(antimony(3+));hexakis(trifluoromethanesulfonate);bis(tripyridin-2-ylphosphane).
Molecular Properties
| Compound Name | acetonitrile;bis(antimony(3+));hexakis(trifluoromethanesulfonate);bis(tripyridin-2-ylphosphane) |
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| PubChem CID | 139170850 |
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| Molecular Formula | C38H27F18N7O18P2S6Sb2 |
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| Molecular Weight | 1709.50 g/mol |
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| Exact Mass | 1706.70 |
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| IUPAC Name | acetonitrile;bis(antimony(3+));hexakis(trifluoromethanesulfonate);bis(tripyridin-2-ylphosphane) |
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| SMILES | CC#N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Sb+3].[Sb+3].c1ccc(P(c2ccccn2)c2ccccn2)nc1.c1ccc(P(c2ccccn2)c2ccccn2)nc1 |
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| InChI | InChI=1S/2C15H12N3P.C2H3N.6CHF3O3S.2Sb/c2*1-4-10-16-13(7-1)19(14-8-2-5-11-17-14)15-9-3-6-12-18-15;1-2-3;6*2-1(3,4)8(5,6)7;;/h2*1-12H;1H3;6*(H,5,6,7);;/q;;;;;;;;;2*+3/p-6 |
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| InChIKey | JTHWDSUAGQWGNN-UHFFFAOYSA-H |
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| XLogP | 3.34 |
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| TPSA | 444.33 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 25 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 91 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1709.50 |
| LogP ≤ 5 | 3.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of acetonitrile;bis(antimony(3+));hexakis(trifluoromethanesulfonate);bis(tripyridin-2-ylphosphane)?
The IUPAC name of acetonitrile;bis(antimony(3+));hexakis(trifluoromethanesulfonate);bis(tripyridin-2-ylphosphane) (CID 139170850) is acetonitrile;bis(antimony(3+));hexakis(trifluoromethanesulfonate);bis(tripyridin-2-ylphosphane).
What is the SMILES notation for acetonitrile;bis(antimony(3+));hexakis(trifluoromethanesulfonate);bis(tripyridin-2-ylphosphane)?
The canonical SMILES for acetonitrile;bis(antimony(3+));hexakis(trifluoromethanesulfonate);bis(tripyridin-2-ylphosphane) is CC#N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Sb+3].[Sb+3].c1ccc(P(c2ccccn2)c2ccccn2)nc1.c1ccc(P(c2ccccn2)c2ccccn2)nc1.
What is the InChIKey of acetonitrile;bis(antimony(3+));hexakis(trifluoromethanesulfonate);bis(tripyridin-2-ylphosphane)?
The InChIKey is JTHWDSUAGQWGNN-UHFFFAOYSA-H. The full InChI is InChI=1S/2C15H12N3P.C2H3N.6CHF3O3S.2Sb/c2*1-4-10-16-13(7-1)19(14-8-2-5-11-17-14)15-9-3-6-12-18-15;1-2-3;6*2-1(3,4)8(5,6)7;;/h2*1-12H;1H3;6*(H,5,6,7);;/q;;;;;;;;;2*+3/p-6.
What are the key properties of acetonitrile;bis(antimony(3+));hexakis(trifluoromethanesulfonate);bis(tripyridin-2-ylphosphane)?
acetonitrile;bis(antimony(3+));hexakis(trifluoromethanesulfonate);bis(tripyridin-2-ylphosphane) has a molecular weight of 1709.50 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;bis(antimony(3+));hexakis(trifluoromethanesulfonate);bis(tripyridin-2-ylphosphane) is sourced from PubChem (CID 139170850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).