C53H84N8O5S4V10-10 — CID 159112707
carbanide;2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;decakis(vanadium) (PubChem CID 159112707) has the molecular formula C53H84N8O5S4V10-10 and a molecular weight of 1551.01 g/mol. Its IUPAC name is carbanide;2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;decakis(vanadium).
| Compound Name | carbanide;2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;decakis(vanadium) |
|---|---|
| PubChem CID | 159112707 |
| Molecular Formula | C53H84N8O5S4V10-10 |
| Molecular Weight | 1551.01 g/mol |
| Exact Mass | 1549.99 |
| IUPAC Name | carbanide;2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;decakis(vanadium) |
| SMILES | Cc1ccc[nH]1.Cc1ccco1.Cc1cccs1.Cc1ccon1.Cc1cnco1.Cc1cncs1.Cc1cocn1.Cc1cscn1.Cc1ncco1.Cc1nccs1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V] |
| InChI | InChI=1S/C5H7N.C5H6O.C5H6S.4C4H5NO.3C4H5NS.10CH3.10V/c3*1-5-3-2-4-6-5;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-6-5-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;;;;;;;;;;;;;;;;;;;;/h2-4,6H,1H3;2*2-4H,1H3;7*2-3H,1H3;10*1H3;;;;;;;;;;/q;;;;;;;;;;10*-1;;;;;;;;;; |
| InChIKey | HHEQHAJZSLCXDL-UHFFFAOYSA-N |
| XLogP | 17.73 |
| TPSA | 171.72 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | |
| Heavy Atoms | 80 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1551.01 |
| LogP ≤ 5 | 17.73 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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