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

C27H19N3O6W — CID 135002862

IUPACcarbon monoxide;[ethoxy-[1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methylidene]tungsten
SMILESCCOC(=[W])c1nnn(Cc2cccc3ccccc23)c1-c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C22H19N3O.5CO.W/c1-2-26-16-21-22(18-10-4-3-5-11-18)25(24-23-21)15-19-13-8-12-17-9-6-7-14-20(17)19;5*1-2;/h3-14H,2,15H2,1H3;;;;;;
InChIKeyUVDGEMFEAQAUQR-UHFFFAOYSA-N
MW665.30 g/mol
LogP4.02
Rot. Bonds6

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

carbon monoxide;[ethoxy-[1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methylidene]tungsten (PubChem CID 135002862) has the molecular formula C27H19N3O6W and a molecular weight of 665.30 g/mol. Its IUPAC name is carbon monoxide;[ethoxy-[1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methylidene]tungsten.

Molecular Properties

Compound Namecarbon monoxide;[ethoxy-[1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methylidene]tungsten
PubChem CID135002862
Molecular FormulaC27H19N3O6W
Molecular Weight665.30 g/mol
Exact Mass665.08
IUPAC Namecarbon monoxide;[ethoxy-[1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methylidene]tungsten
SMILESCCOC(=[W])c1nnn(Cc2cccc3ccccc23)c1-c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C22H19N3O.5CO.W/c1-2-26-16-21-22(18-10-4-3-5-11-18)25(24-23-21)15-19-13-8-12-17-9-6-7-14-20(17)19;5*1-2;/h3-14H,2,15H2,1H3;;;;;;
InChIKeyUVDGEMFEAQAUQR-UHFFFAOYSA-N
XLogP4.02
TPSA139.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500665.30
LogP ≤ 54.02
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'}

Analyze carbon monoxide;[ethoxy-[1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methylidene]tungsten 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 carbon monoxide;[ethoxy-[1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methylidene]tungsten?
The IUPAC name of carbon monoxide;[ethoxy-[1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methylidene]tungsten (CID 135002862) is carbon monoxide;[ethoxy-[1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methylidene]tungsten.
What is the SMILES notation for carbon monoxide;[ethoxy-[1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methylidene]tungsten?
The canonical SMILES for carbon monoxide;[ethoxy-[1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methylidene]tungsten is CCOC(=[W])c1nnn(Cc2cccc3ccccc23)c1-c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[ethoxy-[1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methylidene]tungsten?
The InChIKey is UVDGEMFEAQAUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O.5CO.W/c1-2-26-16-21-22(18-10-4-3-5-11-18)25(24-23-21)15-19-13-8-12-17-9-6-7-14-20(17)19;5*1-2;/h3-14H,2,15H2,1H3;;;;;;.
What are the key properties of carbon monoxide;[ethoxy-[1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methylidene]tungsten?
carbon monoxide;[ethoxy-[1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methylidene]tungsten has a molecular weight of 665.30 g/mol, XLogP of 4.02, 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-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methylidene]tungsten is sourced from PubChem (CID 135002862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).