About deuterium monohydride;methane;phosphane;sulfane;hexakis(tritium monohydride);tungsten;tetrakis(vanadium);trihydroiodide
deuterium monohydride;methane;phosphane;sulfane;hexakis(tritium monohydride);tungsten;tetrakis(vanadium);trihydroiodide (PubChem CID 157135963) has the molecular formula C12H108I3P3S12V4W3
and a molecular weight of 1884.81 g/mol. Its IUPAC name is deuterium monohydride;methane;phosphane;sulfane;hexakis(tritium monohydride);tungsten;tetrakis(vanadium);trihydroiodide.
Molecular Properties
| Compound Name | deuterium monohydride;methane;phosphane;sulfane;hexakis(tritium monohydride);tungsten;tetrakis(vanadium);trihydroiodide |
|---|
| PubChem CID | 157135963 |
|---|
| Molecular Formula | C12H108I3P3S12V4W3 |
|---|
| Molecular Weight | 1884.81 g/mol |
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| Exact Mass | 1883.86 |
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| IUPAC Name | deuterium monohydride;methane;phosphane;sulfane;hexakis(tritium monohydride);tungsten;tetrakis(vanadium);trihydroiodide |
|---|
| SMILES | C.C.C.C.C.C.C.C.C.C.C.C.I.I.I.P.P.P.S.S.S.S.S.S.S.S.S.S.S.S.[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[V].[V].[V].[V].[W].[W].[W] |
|---|
| InChI | InChI=1S/12CH4.3HI.3H3P.12H2S.4V.3W.12H2/h12*1H4;3*1H;3*1H3;12*1H2;;;;;;;;12*1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;6*1+2;6*1+1 |
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| InChIKey | NCHNIXBXGHFCRZ-HIZVOOPQSA-N |
|---|
| XLogP | 13.95 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 1884.81 |
| LogP ≤ 5 | 13.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of deuterium monohydride;methane;phosphane;sulfane;hexakis(tritium monohydride);tungsten;tetrakis(vanadium);trihydroiodide?
The IUPAC name of deuterium monohydride;methane;phosphane;sulfane;hexakis(tritium monohydride);tungsten;tetrakis(vanadium);trihydroiodide (CID 157135963) is deuterium monohydride;methane;phosphane;sulfane;hexakis(tritium monohydride);tungsten;tetrakis(vanadium);trihydroiodide.
What is the SMILES notation for deuterium monohydride;methane;phosphane;sulfane;hexakis(tritium monohydride);tungsten;tetrakis(vanadium);trihydroiodide?
The canonical SMILES for deuterium monohydride;methane;phosphane;sulfane;hexakis(tritium monohydride);tungsten;tetrakis(vanadium);trihydroiodide is C.C.C.C.C.C.C.C.C.C.C.C.I.I.I.P.P.P.S.S.S.S.S.S.S.S.S.S.S.S.[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[H][3H].[V].[V].[V].[V].[W].[W].[W].
What is the InChIKey of deuterium monohydride;methane;phosphane;sulfane;hexakis(tritium monohydride);tungsten;tetrakis(vanadium);trihydroiodide?
The InChIKey is NCHNIXBXGHFCRZ-HIZVOOPQSA-N. The full InChI is InChI=1S/12CH4.3HI.3H3P.12H2S.4V.3W.12H2/h12*1H4;3*1H;3*1H3;12*1H2;;;;;;;;12*1H/i;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;6*1+2;6*1+1.
What are the key properties of deuterium monohydride;methane;phosphane;sulfane;hexakis(tritium monohydride);tungsten;tetrakis(vanadium);trihydroiodide?
deuterium monohydride;methane;phosphane;sulfane;hexakis(tritium monohydride);tungsten;tetrakis(vanadium);trihydroiodide has a molecular weight of 1884.81 g/mol, XLogP of 13.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for deuterium monohydride;methane;phosphane;sulfane;hexakis(tritium monohydride);tungsten;tetrakis(vanadium);trihydroiodide is sourced from PubChem (CID 157135963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).