About CID 25242015
CID 25242015 (PubChem CID 25242015) has the molecular formula C48H32Cr2FeN6O12+2
and a molecular weight of 1044.65 g/mol.
Molecular Properties
| Compound Name | CID 25242015 |
|---|
| PubChem CID | 25242015 |
|---|
| Molecular Formula | C48H32Cr2FeN6O12+2 |
|---|
| Molecular Weight | 1044.65 g/mol |
|---|
| Exact Mass | 1044.02 |
|---|
| IUPAC Name | — |
|---|
| SMILES | CCO[C]C#Cc1cccc(-c2cn(C[C]3[CH][CH][CH][CH]3)nn2)c1.CCO[C]C#Cc1cccc(-c2cn(C[C]3[CH][CH][CH][CH]3)nn2)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].[Cr].[Fe+2] |
|---|
| InChI | InChI=1S/2C19H16N3O.10CO.2Cr.Fe/c2*1-2-23-12-6-10-16-9-5-11-18(13-16)19-15-22(21-20-19)14-17-7-3-4-8-17;10*1-2;;;/h2*3-5,7-9,11,13,15H,2,14H2,1H3;;;;;;;;;;;;;/q;;;;;;;;;;;;;;+2 |
|---|
| InChIKey | RPLNNFGWSFZQCU-UHFFFAOYSA-N |
|---|
| XLogP | 5.17 |
|---|
| TPSA | 278.88 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 10 |
|---|
| Heavy Atoms | 69 |
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| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 1044.65 |
| LogP ≤ 5 | 5.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 25242015?
The IUPAC name of CID 25242015 (CID 25242015) is not available.
What is the SMILES notation for CID 25242015?
The canonical SMILES for CID 25242015 is CCO[C]C#Cc1cccc(-c2cn(C[C]3[CH][CH][CH][CH]3)nn2)c1.CCO[C]C#Cc1cccc(-c2cn(C[C]3[CH][CH][CH][CH]3)nn2)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].[Cr].[Fe+2].
What is the InChIKey of CID 25242015?
The InChIKey is RPLNNFGWSFZQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H16N3O.10CO.2Cr.Fe/c2*1-2-23-12-6-10-16-9-5-11-18(13-16)19-15-22(21-20-19)14-17-7-3-4-8-17;10*1-2;;;/h2*3-5,7-9,11,13,15H,2,14H2,1H3;;;;;;;;;;;;;/q;;;;;;;;;;;;;;+2.
What are the key properties of CID 25242015?
CID 25242015 has a molecular weight of 1044.65 g/mol, XLogP of 5.17, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 25242015 is sourced from PubChem (CID 25242015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).