About carbanide;methylbenzene;5-methyl-2H-pyrazin-2-ide;5-methyl-2H-pyridin-2-ide;6-methyl-3H-pyridin-3-ide;2-methyl-5H-pyrimidin-5-ide;5-methyl-2H-pyrimidin-2-ide;tungsten;hexakis(yttrium)
carbanide;methylbenzene;5-methyl-2H-pyrazin-2-ide;5-methyl-2H-pyridin-2-ide;6-methyl-3H-pyridin-3-ide;2-methyl-5H-pyrimidin-5-ide;5-methyl-2H-pyrimidin-2-ide;tungsten;hexakis(yttrium) (PubChem CID 161467766) has the molecular formula C46H70N8W18Y6-18
and a molecular weight of 4577.68 g/mol. Its IUPAC name is carbanide;methylbenzene;5-methyl-2H-pyrazin-2-ide;5-methyl-2H-pyridin-2-ide;6-methyl-3H-pyridin-3-ide;2-methyl-5H-pyrimidin-5-ide;5-methyl-2H-pyrimidin-2-ide;tungsten;hexakis(yttrium).
Molecular Properties
| Compound Name | carbanide;methylbenzene;5-methyl-2H-pyrazin-2-ide;5-methyl-2H-pyridin-2-ide;6-methyl-3H-pyridin-3-ide;2-methyl-5H-pyrimidin-5-ide;5-methyl-2H-pyrimidin-2-ide;tungsten;hexakis(yttrium) |
|---|
| PubChem CID | 161467766 |
|---|
| Molecular Formula | C46H70N8W18Y6-18 |
|---|
| Molecular Weight | 4577.68 g/mol |
|---|
| Exact Mass | 4579.13 |
|---|
| IUPAC Name | carbanide;methylbenzene;5-methyl-2H-pyrazin-2-ide;5-methyl-2H-pyridin-2-ide;6-methyl-3H-pyridin-3-ide;2-methyl-5H-pyrimidin-5-ide;5-methyl-2H-pyrimidin-2-ide;tungsten;hexakis(yttrium) |
|---|
| SMILES | Cc1cc[c-]cc1.Cc1cc[c-]cn1.Cc1cc[c-]nc1.Cc1cn[c-]cn1.Cc1cn[c-]nc1.Cc1nc[c-]cn1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[Y].[Y].[Y].[Y].[Y].[Y] |
|---|
| InChI | InChI=1S/C7H7.2C6H6N.3C5H5N2.12CH3.18W.6Y/c1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-6H,1H3;2-3,5H,1H3;2,4-5H,1H3;2-3H,1H3;2*3-4H,1H3;12*1H3;;;;;;;;;;;;;;;;;;;;;;;;/q18*-1;;;;;;;;;;;;;;;;;;;;;;;; |
|---|
| InChIKey | OWNFWQKJECRQMB-UHFFFAOYSA-N |
|---|
| XLogP | 11.27 |
|---|
| TPSA | 103.12 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 78 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 4577.68 |
| LogP ≤ 5 | 11.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Analyze carbanide;methylbenzene;5-methyl-2H-pyrazin-2-ide;5-methyl-2H-pyridin-2-ide;6-methyl-3H-pyridin-3-ide;2-methyl-5H-pyrimidin-5-ide;5-methyl-2H-pyrimidin-2-ide;tungsten;hexakis(yttrium) 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;methylbenzene;5-methyl-2H-pyrazin-2-ide;5-methyl-2H-pyridin-2-ide;6-methyl-3H-pyridin-3-ide;2-methyl-5H-pyrimidin-5-ide;5-methyl-2H-pyrimidin-2-ide;tungsten;hexakis(yttrium)?
The IUPAC name of carbanide;methylbenzene;5-methyl-2H-pyrazin-2-ide;5-methyl-2H-pyridin-2-ide;6-methyl-3H-pyridin-3-ide;2-methyl-5H-pyrimidin-5-ide;5-methyl-2H-pyrimidin-2-ide;tungsten;hexakis(yttrium) (CID 161467766) is carbanide;methylbenzene;5-methyl-2H-pyrazin-2-ide;5-methyl-2H-pyridin-2-ide;6-methyl-3H-pyridin-3-ide;2-methyl-5H-pyrimidin-5-ide;5-methyl-2H-pyrimidin-2-ide;tungsten;hexakis(yttrium).
What is the SMILES notation for carbanide;methylbenzene;5-methyl-2H-pyrazin-2-ide;5-methyl-2H-pyridin-2-ide;6-methyl-3H-pyridin-3-ide;2-methyl-5H-pyrimidin-5-ide;5-methyl-2H-pyrimidin-2-ide;tungsten;hexakis(yttrium)?
The canonical SMILES for carbanide;methylbenzene;5-methyl-2H-pyrazin-2-ide;5-methyl-2H-pyridin-2-ide;6-methyl-3H-pyridin-3-ide;2-methyl-5H-pyrimidin-5-ide;5-methyl-2H-pyrimidin-2-ide;tungsten;hexakis(yttrium) is Cc1cc[c-]cc1.Cc1cc[c-]cn1.Cc1cc[c-]nc1.Cc1cn[c-]cn1.Cc1cn[c-]nc1.Cc1nc[c-]cn1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of carbanide;methylbenzene;5-methyl-2H-pyrazin-2-ide;5-methyl-2H-pyridin-2-ide;6-methyl-3H-pyridin-3-ide;2-methyl-5H-pyrimidin-5-ide;5-methyl-2H-pyrimidin-2-ide;tungsten;hexakis(yttrium)?
The InChIKey is OWNFWQKJECRQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.2C6H6N.3C5H5N2.12CH3.18W.6Y/c1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-4-6-2-3-7-5;1-5-6-3-2-4-7-5;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-6H,1H3;2-3,5H,1H3;2,4-5H,1H3;2-3H,1H3;2*3-4H,1H3;12*1H3;;;;;;;;;;;;;;;;;;;;;;;;/q18*-1;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of carbanide;methylbenzene;5-methyl-2H-pyrazin-2-ide;5-methyl-2H-pyridin-2-ide;6-methyl-3H-pyridin-3-ide;2-methyl-5H-pyrimidin-5-ide;5-methyl-2H-pyrimidin-2-ide;tungsten;hexakis(yttrium)?
carbanide;methylbenzene;5-methyl-2H-pyrazin-2-ide;5-methyl-2H-pyridin-2-ide;6-methyl-3H-pyridin-3-ide;2-methyl-5H-pyrimidin-5-ide;5-methyl-2H-pyrimidin-2-ide;tungsten;hexakis(yttrium) has a molecular weight of 4577.68 g/mol, XLogP of 11.27, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methylbenzene;5-methyl-2H-pyrazin-2-ide;5-methyl-2H-pyridin-2-ide;6-methyl-3H-pyridin-3-ide;2-methyl-5H-pyrimidin-5-ide;5-methyl-2H-pyrimidin-2-ide;tungsten;hexakis(yttrium) is sourced from PubChem (CID 161467766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).