About hexadecasilver;hexadecakis(dipyridin-2-ylmethanone);ethanol;hexadecakis(trifluoromethanesulfonate)
hexadecasilver;hexadecakis(dipyridin-2-ylmethanone);ethanol;hexadecakis(trifluoromethanesulfonate) (PubChem CID 139161033) has the molecular formula C196H140Ag16F48N32O66S16
and a molecular weight of 7150.30 g/mol. Its IUPAC name is hexadecasilver;hexadecakis(dipyridin-2-ylmethanone);ethanol;hexadecakis(trifluoromethanesulfonate).
Molecular Properties
| Compound Name | hexadecasilver;hexadecakis(dipyridin-2-ylmethanone);ethanol;hexadecakis(trifluoromethanesulfonate) |
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| PubChem CID | 139161033 |
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| Molecular Formula | C196H140Ag16F48N32O66S16 |
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| Molecular Weight | 7150.30 g/mol |
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| Exact Mass | 7130.82 |
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| IUPAC Name | hexadecasilver;hexadecakis(dipyridin-2-ylmethanone);ethanol;hexadecakis(trifluoromethanesulfonate) |
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| SMILES | CCO.CCO.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.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.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.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.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+] |
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| InChI | InChI=1S/16C11H8N2O.2C2H6O.16CHF3O3S.16Ag/c16*14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10;2*1-2-3;16*2-1(3,4)8(5,6)7;;;;;;;;;;;;;;;;/h16*1-8H;2*3H,2H2,1H3;16*(H,5,6,7);;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;16*+1/p-16 |
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| InChIKey | ALGKSZWTFBXFKA-UHFFFAOYSA-A |
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| XLogP | 28.10 |
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| TPSA | 1641.26 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 98 |
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| Rotatable Bonds | 32 |
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| Heavy Atoms | 374 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 7150.30 |
| LogP ≤ 5 | 28.10 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 98 |
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Frequently Asked Questions
What is the IUPAC name of hexadecasilver;hexadecakis(dipyridin-2-ylmethanone);ethanol;hexadecakis(trifluoromethanesulfonate)?
The IUPAC name of hexadecasilver;hexadecakis(dipyridin-2-ylmethanone);ethanol;hexadecakis(trifluoromethanesulfonate) (CID 139161033) is hexadecasilver;hexadecakis(dipyridin-2-ylmethanone);ethanol;hexadecakis(trifluoromethanesulfonate).
What is the SMILES notation for hexadecasilver;hexadecakis(dipyridin-2-ylmethanone);ethanol;hexadecakis(trifluoromethanesulfonate)?
The canonical SMILES for hexadecasilver;hexadecakis(dipyridin-2-ylmethanone);ethanol;hexadecakis(trifluoromethanesulfonate) is CCO.CCO.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.O=C(c1ccccn1)c1ccccn1.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.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.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.[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].[Ag+].
What is the InChIKey of hexadecasilver;hexadecakis(dipyridin-2-ylmethanone);ethanol;hexadecakis(trifluoromethanesulfonate)?
The InChIKey is ALGKSZWTFBXFKA-UHFFFAOYSA-A. The full InChI is InChI=1S/16C11H8N2O.2C2H6O.16CHF3O3S.16Ag/c16*14-11(9-5-1-3-7-12-9)10-6-2-4-8-13-10;2*1-2-3;16*2-1(3,4)8(5,6)7;;;;;;;;;;;;;;;;/h16*1-8H;2*3H,2H2,1H3;16*(H,5,6,7);;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;16*+1/p-16.
What are the key properties of hexadecasilver;hexadecakis(dipyridin-2-ylmethanone);ethanol;hexadecakis(trifluoromethanesulfonate)?
hexadecasilver;hexadecakis(dipyridin-2-ylmethanone);ethanol;hexadecakis(trifluoromethanesulfonate) has a molecular weight of 7150.30 g/mol, XLogP of 28.10, 32 rotatable bonds, 2 hydrogen bond donors, and 98 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecasilver;hexadecakis(dipyridin-2-ylmethanone);ethanol;hexadecakis(trifluoromethanesulfonate) is sourced from PubChem (CID 139161033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).