About benzene;carbanide;ethane;pentakis(2-methylpropane);(yttrium)
benzene;carbanide;ethane;pentakis(2-methylpropane);(yttrium) (PubChem CID 158958518) has the molecular formula C75H150Y50-10
and a molecular weight of 5497.33 g/mol. Its IUPAC name is benzene;carbanide;ethane;pentakis(2-methylpropane);(yttrium).
Molecular Properties
| Compound Name | benzene;carbanide;ethane;pentakis(2-methylpropane);(yttrium) |
|---|
| PubChem CID | 158958518 |
|---|
| Molecular Formula | C75H150Y50-10 |
|---|
| Molecular Weight | 5497.33 g/mol |
|---|
| Exact Mass | 5496.47 |
|---|
| IUPAC Name | benzene;carbanide;ethane;pentakis(2-methylpropane);(yttrium) |
|---|
| SMILES | CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1 |
|---|
| InChI | InChI=1S/5C6H6.5C4H9.10C2H6.5CH3.50Y/c5*1-2-4-6-5-3-1;5*1-4(2)3;10*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5*1-6H;5*1-3H3;10*1-2H3;5*1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;5*-1;;;;;;;;;;;5*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; |
|---|
| InChIKey | JWTDNUNOQMMPIX-UHFFFAOYSA-N |
|---|
| XLogP | 28.92 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 125 |
|---|
| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 5497.33 |
| LogP ≤ 5 | 28.92 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of benzene;carbanide;ethane;pentakis(2-methylpropane);(yttrium)?
The IUPAC name of benzene;carbanide;ethane;pentakis(2-methylpropane);(yttrium) (CID 158958518) is benzene;carbanide;ethane;pentakis(2-methylpropane);(yttrium).
What is the SMILES notation for benzene;carbanide;ethane;pentakis(2-methylpropane);(yttrium)?
The canonical SMILES for benzene;carbanide;ethane;pentakis(2-methylpropane);(yttrium) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;carbanide;ethane;pentakis(2-methylpropane);(yttrium)?
The InChIKey is JWTDNUNOQMMPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/5C6H6.5C4H9.10C2H6.5CH3.50Y/c5*1-2-4-6-5-3-1;5*1-4(2)3;10*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h5*1-6H;5*1-3H3;10*1-2H3;5*1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;5*-1;;;;;;;;;;;5*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of benzene;carbanide;ethane;pentakis(2-methylpropane);(yttrium)?
benzene;carbanide;ethane;pentakis(2-methylpropane);(yttrium) has a molecular weight of 5497.33 g/mol, XLogP of 28.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;carbanide;ethane;pentakis(2-methylpropane);(yttrium) is sourced from PubChem (CID 158958518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).