carbon monoxide;[ethoxy-[5-phenyl-1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]methylidene]tungsten

C26H23N3O6W — CID 135005125

IUPACcarbon monoxide;[ethoxy-[5-phenyl-1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]methylidene]tungsten
SMILESCCOC(=[W])c1nnn(Cc2ccc(C(C)C)cc2)c1-c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C21H23N3O.5CO.W/c1-4-25-15-20-21(19-8-6-5-7-9-19)24(23-22-20)14-17-10-12-18(13-11-17)16(2)3;5*1-2;/h5-13,16H,4,14H2,1-3H3;;;;;;
InChIKeyULRKEOTULKOYKW-UHFFFAOYSA-N
MW657.33 g/mol
LogP3.99
Rot. Bonds7

About carbon monoxide;[ethoxy-[5-phenyl-1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]methylidene]tungsten

carbon monoxide;[ethoxy-[5-phenyl-1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]methylidene]tungsten (PubChem CID 135005125) has the molecular formula C26H23N3O6W and a molecular weight of 657.33 g/mol. Its IUPAC name is carbon monoxide;[ethoxy-[5-phenyl-1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]methylidene]tungsten.

Molecular Properties

Compound Namecarbon monoxide;[ethoxy-[5-phenyl-1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]methylidene]tungsten
PubChem CID135005125
Molecular FormulaC26H23N3O6W
Molecular Weight657.33 g/mol
Exact Mass657.11
IUPAC Namecarbon monoxide;[ethoxy-[5-phenyl-1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]methylidene]tungsten
SMILESCCOC(=[W])c1nnn(Cc2ccc(C(C)C)cc2)c1-c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C21H23N3O.5CO.W/c1-4-25-15-20-21(19-8-6-5-7-9-19)24(23-22-20)14-17-10-12-18(13-11-17)16(2)3;5*1-2;/h5-13,16H,4,14H2,1-3H3;;;;;;
InChIKeyULRKEOTULKOYKW-UHFFFAOYSA-N
XLogP3.99
TPSA139.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500657.33
LogP ≤ 53.99
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-[5-phenyl-1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]methylidene]tungsten?
The IUPAC name of carbon monoxide;[ethoxy-[5-phenyl-1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]methylidene]tungsten (CID 135005125) is carbon monoxide;[ethoxy-[5-phenyl-1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]methylidene]tungsten.
What is the SMILES notation for carbon monoxide;[ethoxy-[5-phenyl-1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]methylidene]tungsten?
The canonical SMILES for carbon monoxide;[ethoxy-[5-phenyl-1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]methylidene]tungsten is CCOC(=[W])c1nnn(Cc2ccc(C(C)C)cc2)c1-c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[ethoxy-[5-phenyl-1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]methylidene]tungsten?
The InChIKey is ULRKEOTULKOYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O.5CO.W/c1-4-25-15-20-21(19-8-6-5-7-9-19)24(23-22-20)14-17-10-12-18(13-11-17)16(2)3;5*1-2;/h5-13,16H,4,14H2,1-3H3;;;;;;.
What are the key properties of carbon monoxide;[ethoxy-[5-phenyl-1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]methylidene]tungsten?
carbon monoxide;[ethoxy-[5-phenyl-1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]methylidene]tungsten has a molecular weight of 657.33 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[ethoxy-[5-phenyl-1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]methylidene]tungsten is sourced from PubChem (CID 135005125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).