About CID 134868669
CID 134868669 (PubChem CID 134868669) has the molecular formula C30H30FeSi2
and a molecular weight of 502.59 g/mol.
Molecular Properties
| Compound Name | CID 134868669 |
|---|
| PubChem CID | 134868669 |
|---|
| Molecular Formula | C30H30FeSi2 |
|---|
| Molecular Weight | 502.59 g/mol |
|---|
| Exact Mass | 502.12 |
|---|
| IUPAC Name | — |
|---|
| SMILES | C[Si](C)(C#Cc1ccccc1)[C]1[CH][CH][CH][CH]1.C[Si](C)(C#Cc1ccccc1)[C]1[CH][CH][CH][CH]1.[Fe] |
|---|
| InChI | InChI=1S/2C15H15Si.Fe/c2*1-16(2,15-10-6-7-11-15)13-12-14-8-4-3-5-9-14;/h2*3-11H,1-2H3; |
|---|
| InChIKey | DOOYQCWUNBTXPB-UHFFFAOYSA-N |
|---|
| XLogP | 6.46 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | 2 |
|---|
| Heavy Atoms | 33 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 502.59 |
| LogP ≤ 5 | 6.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
|---|
Analyze CID 134868669 with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of CID 134868669?
The IUPAC name of CID 134868669 (CID 134868669) is not available.
What is the SMILES notation for CID 134868669?
The canonical SMILES for CID 134868669 is C[Si](C)(C#Cc1ccccc1)[C]1[CH][CH][CH][CH]1.C[Si](C)(C#Cc1ccccc1)[C]1[CH][CH][CH][CH]1.[Fe].
What is the InChIKey of CID 134868669?
The InChIKey is DOOYQCWUNBTXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H15Si.Fe/c2*1-16(2,15-10-6-7-11-15)13-12-14-8-4-3-5-9-14;/h2*3-11H,1-2H3;.
What are the key properties of CID 134868669?
CID 134868669 has a molecular weight of 502.59 g/mol, XLogP of 6.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134868669 is sourced from PubChem (CID 134868669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).