About benzene;tris(propan-2-ylbenzene);titanium(4+)
benzene;tris(propan-2-ylbenzene);titanium(4+) (PubChem CID 141332066) has the molecular formula C33H38Ti
and a molecular weight of 482.53 g/mol. Its IUPAC name is benzene;tris(propan-2-ylbenzene);titanium(4+).
Molecular Properties
| Compound Name | benzene;tris(propan-2-ylbenzene);titanium(4+) |
|---|
| PubChem CID | 141332066 |
|---|
| Molecular Formula | C33H38Ti |
|---|
| Molecular Weight | 482.53 g/mol |
|---|
| Exact Mass | 482.25 |
|---|
| IUPAC Name | benzene;tris(propan-2-ylbenzene);titanium(4+) |
|---|
| SMILES | C[C-](C)c1ccccc1.C[C-](C)c1ccccc1.C[C-](C)c1ccccc1.[Ti+4].[c-]1ccccc1 |
|---|
| InChI | InChI=1S/3C9H11.C6H5.Ti/c3*1-8(2)9-6-4-3-5-7-9;1-2-4-6-5-3-1;/h3*3-7H,1-2H3;1-5H;/q4*-1;+4 |
|---|
| InChIKey | KNPPRULMOLPMKB-UHFFFAOYSA-N |
|---|
| XLogP | 9.43 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | 3 |
|---|
| Heavy Atoms | 34 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 482.53 |
| LogP ≤ 5 | 9.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Analyze benzene;tris(propan-2-ylbenzene);titanium(4+) 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 benzene;tris(propan-2-ylbenzene);titanium(4+)?
The IUPAC name of benzene;tris(propan-2-ylbenzene);titanium(4+) (CID 141332066) is benzene;tris(propan-2-ylbenzene);titanium(4+).
What is the SMILES notation for benzene;tris(propan-2-ylbenzene);titanium(4+)?
The canonical SMILES for benzene;tris(propan-2-ylbenzene);titanium(4+) is C[C-](C)c1ccccc1.C[C-](C)c1ccccc1.C[C-](C)c1ccccc1.[Ti+4].[c-]1ccccc1.
What is the InChIKey of benzene;tris(propan-2-ylbenzene);titanium(4+)?
The InChIKey is KNPPRULMOLPMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H11.C6H5.Ti/c3*1-8(2)9-6-4-3-5-7-9;1-2-4-6-5-3-1;/h3*3-7H,1-2H3;1-5H;/q4*-1;+4.
What are the key properties of benzene;tris(propan-2-ylbenzene);titanium(4+)?
benzene;tris(propan-2-ylbenzene);titanium(4+) has a molecular weight of 482.53 g/mol, XLogP of 9.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;tris(propan-2-ylbenzene);titanium(4+) is sourced from PubChem (CID 141332066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).