About tris((NE,1Z)-4-chloro-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hexakis(oxygen(2-));tris(vanadium)
tris((NE,1Z)-4-chloro-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hexakis(oxygen(2-));tris(vanadium) (PubChem CID 139058108) has the molecular formula C39H27Cl3N9O9V3-15
and a molecular weight of 1024.89 g/mol. Its IUPAC name is tris((NE,1Z)-4-chloro-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hexakis(oxygen(2-));tris(vanadium).
Molecular Properties
| Compound Name | tris((NE,1Z)-4-chloro-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hexakis(oxygen(2-));tris(vanadium) |
|---|
| PubChem CID | 139058108 |
|---|
| Molecular Formula | C39H27Cl3N9O9V3-15 |
|---|
| Molecular Weight | 1024.89 g/mol |
|---|
| Exact Mass | 1022.94 |
|---|
| IUPAC Name | tris((NE,1Z)-4-chloro-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hexakis(oxygen(2-));tris(vanadium) |
|---|
| SMILES | [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-]/C(=N\N=C\c1ccccn1)c1ccc(Cl)cc1.[O-]/C(=N\N=C\c1ccccn1)c1ccc(Cl)cc1.[O-]/C(=N\N=C\c1ccccn1)c1ccc(Cl)cc1.[V].[V].[V] |
|---|
| InChI | InChI=1S/3C13H10ClN3O.6O.3V/c3*14-11-6-4-10(5-7-11)13(18)17-16-9-12-3-1-2-8-15-12;;;;;;;;;/h3*1-9H,(H,17,18);;;;;;;;;/q;;;6*-2;;;/p-3/b3*16-9+;;;;;;;;; |
|---|
| InChIKey | BOWJILAZPSPZTA-HDICJSFZSA-K |
|---|
| XLogP | 4.91 |
|---|
| TPSA | 353.01 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 12 |
|---|
| Rotatable Bonds | 9 |
|---|
| Heavy Atoms | 63 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 1024.89 |
| LogP ≤ 5 | 4.91 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze tris((NE,1Z)-4-chloro-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hexakis(oxygen(2-));tris(vanadium) 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 tris((NE,1Z)-4-chloro-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hexakis(oxygen(2-));tris(vanadium)?
The IUPAC name of tris((NE,1Z)-4-chloro-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hexakis(oxygen(2-));tris(vanadium) (CID 139058108) is tris((NE,1Z)-4-chloro-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hexakis(oxygen(2-));tris(vanadium).
What is the SMILES notation for tris((NE,1Z)-4-chloro-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hexakis(oxygen(2-));tris(vanadium)?
The canonical SMILES for tris((NE,1Z)-4-chloro-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hexakis(oxygen(2-));tris(vanadium) is [O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-]/C(=N\N=C\c1ccccn1)c1ccc(Cl)cc1.[O-]/C(=N\N=C\c1ccccn1)c1ccc(Cl)cc1.[O-]/C(=N\N=C\c1ccccn1)c1ccc(Cl)cc1.[V].[V].[V].
What is the InChIKey of tris((NE,1Z)-4-chloro-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hexakis(oxygen(2-));tris(vanadium)?
The InChIKey is BOWJILAZPSPZTA-HDICJSFZSA-K. The full InChI is InChI=1S/3C13H10ClN3O.6O.3V/c3*14-11-6-4-10(5-7-11)13(18)17-16-9-12-3-1-2-8-15-12;;;;;;;;;/h3*1-9H,(H,17,18);;;;;;;;;/q;;;6*-2;;;/p-3/b3*16-9+;;;;;;;;;.
What are the key properties of tris((NE,1Z)-4-chloro-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hexakis(oxygen(2-));tris(vanadium)?
tris((NE,1Z)-4-chloro-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hexakis(oxygen(2-));tris(vanadium) has a molecular weight of 1024.89 g/mol, XLogP of 4.91, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris((NE,1Z)-4-chloro-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);hexakis(oxygen(2-));tris(vanadium) is sourced from PubChem (CID 139058108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).