carbon monoxide;[[1-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]-ethoxymethylidene]tungsten

C23H16ClN3O6W — CID 135003481

IUPACcarbon monoxide;[[1-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]-ethoxymethylidene]tungsten
SMILESCCOC(=[W])c1nnn(Cc2cccc(Cl)c2)c1-c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C18H16ClN3O.5CO.W/c1-2-23-13-17-18(15-8-4-3-5-9-15)22(21-20-17)12-14-7-6-10-16(19)11-14;5*1-2;/h3-11H,2,12H2,1H3;;;;;;
InChIKeyRWTKVNNAJKGEAS-UHFFFAOYSA-N
MW649.69 g/mol
LogP3.52
Rot. Bonds6

About carbon monoxide;[[1-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]-ethoxymethylidene]tungsten

carbon monoxide;[[1-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]-ethoxymethylidene]tungsten (PubChem CID 135003481) has the molecular formula C23H16ClN3O6W and a molecular weight of 649.69 g/mol. Its IUPAC name is carbon monoxide;[[1-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]-ethoxymethylidene]tungsten.

Molecular Properties

Compound Namecarbon monoxide;[[1-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]-ethoxymethylidene]tungsten
PubChem CID135003481
Molecular FormulaC23H16ClN3O6W
Molecular Weight649.69 g/mol
Exact Mass649.02
IUPAC Namecarbon monoxide;[[1-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]-ethoxymethylidene]tungsten
SMILESCCOC(=[W])c1nnn(Cc2cccc(Cl)c2)c1-c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C18H16ClN3O.5CO.W/c1-2-23-13-17-18(15-8-4-3-5-9-15)22(21-20-17)12-14-7-6-10-16(19)11-14;5*1-2;/h3-11H,2,12H2,1H3;;;;;;
InChIKeyRWTKVNNAJKGEAS-UHFFFAOYSA-N
XLogP3.52
TPSA139.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500649.69
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[[1-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]-ethoxymethylidene]tungsten?
The IUPAC name of carbon monoxide;[[1-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]-ethoxymethylidene]tungsten (CID 135003481) is carbon monoxide;[[1-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]-ethoxymethylidene]tungsten.
What is the SMILES notation for carbon monoxide;[[1-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]-ethoxymethylidene]tungsten?
The canonical SMILES for carbon monoxide;[[1-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]-ethoxymethylidene]tungsten is CCOC(=[W])c1nnn(Cc2cccc(Cl)c2)c1-c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[[1-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]-ethoxymethylidene]tungsten?
The InChIKey is RWTKVNNAJKGEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O.5CO.W/c1-2-23-13-17-18(15-8-4-3-5-9-15)22(21-20-17)12-14-7-6-10-16(19)11-14;5*1-2;/h3-11H,2,12H2,1H3;;;;;;.
What are the key properties of carbon monoxide;[[1-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]-ethoxymethylidene]tungsten?
carbon monoxide;[[1-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]-ethoxymethylidene]tungsten has a molecular weight of 649.69 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[[1-[(3-chlorophenyl)methyl]-5-phenyltriazol-4-yl]-ethoxymethylidene]tungsten is sourced from PubChem (CID 135003481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).