carbon monoxide;[ethoxy-[1-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methylidene]tungsten

C23H16FN3O6W — CID 135005321

IUPACcarbon monoxide;[ethoxy-[1-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methylidene]tungsten
SMILESCCOC(=[W])c1nnn(Cc2ccc(F)cc2)c1-c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C18H16FN3O.5CO.W/c1-2-23-13-17-18(15-6-4-3-5-7-15)22(21-20-17)12-14-8-10-16(19)11-9-14;5*1-2;/h3-11H,2,12H2,1H3;;;;;;
InChIKeyMRCGDVTTZFSNRM-UHFFFAOYSA-N
MW633.23 g/mol
LogP3.01
Rot. Bonds6

About carbon monoxide;[ethoxy-[1-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methylidene]tungsten

carbon monoxide;[ethoxy-[1-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methylidene]tungsten (PubChem CID 135005321) has the molecular formula C23H16FN3O6W and a molecular weight of 633.23 g/mol. Its IUPAC name is carbon monoxide;[ethoxy-[1-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methylidene]tungsten.

Molecular Properties

Compound Namecarbon monoxide;[ethoxy-[1-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methylidene]tungsten
PubChem CID135005321
Molecular FormulaC23H16FN3O6W
Molecular Weight633.23 g/mol
Exact Mass633.05
IUPAC Namecarbon monoxide;[ethoxy-[1-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methylidene]tungsten
SMILESCCOC(=[W])c1nnn(Cc2ccc(F)cc2)c1-c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C18H16FN3O.5CO.W/c1-2-23-13-17-18(15-6-4-3-5-7-15)22(21-20-17)12-14-8-10-16(19)11-9-14;5*1-2;/h3-11H,2,12H2,1H3;;;;;;
InChIKeyMRCGDVTTZFSNRM-UHFFFAOYSA-N
XLogP3.01
TPSA139.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500633.23
LogP ≤ 53.01
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;[ethoxy-[1-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methylidene]tungsten?
The IUPAC name of carbon monoxide;[ethoxy-[1-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methylidene]tungsten (CID 135005321) is carbon monoxide;[ethoxy-[1-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methylidene]tungsten.
What is the SMILES notation for carbon monoxide;[ethoxy-[1-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methylidene]tungsten?
The canonical SMILES for carbon monoxide;[ethoxy-[1-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methylidene]tungsten is CCOC(=[W])c1nnn(Cc2ccc(F)cc2)c1-c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[ethoxy-[1-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methylidene]tungsten?
The InChIKey is MRCGDVTTZFSNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O.5CO.W/c1-2-23-13-17-18(15-6-4-3-5-7-15)22(21-20-17)12-14-8-10-16(19)11-9-14;5*1-2;/h3-11H,2,12H2,1H3;;;;;;.
What are the key properties of carbon monoxide;[ethoxy-[1-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methylidene]tungsten?
carbon monoxide;[ethoxy-[1-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methylidene]tungsten has a molecular weight of 633.23 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[ethoxy-[1-[(4-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methylidene]tungsten is sourced from PubChem (CID 135005321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).