About carbanide;cyclopenta-1,3-diene;zirconium(3+);tribromide
carbanide;cyclopenta-1,3-diene;zirconium(3+);tribromide (PubChem CID 160804559) has the molecular formula C6H8Br3Zr-2
and a molecular weight of 411.07 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;zirconium(3+);tribromide.
Molecular Properties
| Compound Name | carbanide;cyclopenta-1,3-diene;zirconium(3+);tribromide |
|---|
| PubChem CID | 160804559 |
|---|
| Molecular Formula | C6H8Br3Zr-2 |
|---|
| Molecular Weight | 411.07 g/mol |
|---|
| Exact Mass | 406.72 |
|---|
| IUPAC Name | carbanide;cyclopenta-1,3-diene;zirconium(3+);tribromide |
|---|
| SMILES | [Br-].[Br-].[Br-].[CH3-].[Zr+3].c1cc[cH-]c1 |
|---|
| InChI | InChI=1S/C5H5.CH3.3BrH.Zr/c1-2-4-5-3-1;;;;;/h1-5H;1H3;3*1H;/q2*-1;;;;+3/p-3 |
|---|
| InChIKey | AXYVSAJAEBMRAF-UHFFFAOYSA-K |
|---|
| XLogP | -7.13 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 10 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 411.07 |
| LogP ≤ 5 | -7.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Analyze carbanide;cyclopenta-1,3-diene;zirconium(3+);tribromide 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 carbanide;cyclopenta-1,3-diene;zirconium(3+);tribromide?
The IUPAC name of carbanide;cyclopenta-1,3-diene;zirconium(3+);tribromide (CID 160804559) is carbanide;cyclopenta-1,3-diene;zirconium(3+);tribromide.
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;zirconium(3+);tribromide?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;zirconium(3+);tribromide is [Br-].[Br-].[Br-].[CH3-].[Zr+3].c1cc[cH-]c1.
What is the InChIKey of carbanide;cyclopenta-1,3-diene;zirconium(3+);tribromide?
The InChIKey is AXYVSAJAEBMRAF-UHFFFAOYSA-K. The full InChI is InChI=1S/C5H5.CH3.3BrH.Zr/c1-2-4-5-3-1;;;;;/h1-5H;1H3;3*1H;/q2*-1;;;;+3/p-3.
What are the key properties of carbanide;cyclopenta-1,3-diene;zirconium(3+);tribromide?
carbanide;cyclopenta-1,3-diene;zirconium(3+);tribromide has a molecular weight of 411.07 g/mol, XLogP of -7.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;zirconium(3+);tribromide is sourced from PubChem (CID 160804559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).