carbon monoxide;[ethoxy-[(1S,7S)-3-oxo-1,5,7-triphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]methylidene]tungsten

C32H24N2O7W — CID 135004592

About carbon monoxide;[ethoxy-[(1S,7S)-3-oxo-1,5,7-triphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]methylidene]tungsten

carbon monoxide;[ethoxy-[(1S,7S)-3-oxo-1,5,7-triphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]methylidene]tungsten (PubChem CID 135004592) has the molecular formula C32H24N2O7W and a molecular weight of 732.39 g/mol. Its IUPAC name is carbon monoxide;[ethoxy-[(1S,7S)-3-oxo-1,5,7-triphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]methylidene]tungsten.

Molecular Properties

• Compound Name: carbon monoxide;[ethoxy-[(1S,7S)-3-oxo-1,5,7-triphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]methylidene]tungsten
• PubChem CID: 135004592
• Molecular Formula: C32H24N2O7W
• Molecular Weight: 732.39 g/mol
• Exact Mass: 732.11
• IUPAC Name: carbon monoxide;[ethoxy-[(1S,7S)-3-oxo-1,5,7-triphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]methylidene]tungsten
• SMILES: CCOC(=[W])C1=C(c2ccccc2)N2C(=O)C[C@@H](c3ccccc3)N2[C@H]1c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
• InChI: InChI=1S/C27H24N2O2.5CO.W/c1-2-31-19-23-26(21-14-8-4-9-15-21)28-24(20-12-6-3-7-13-20)18-25(30)29(28)27(23)22-16-10-5-11-17-22;5*1-2;/h3-17,24,26H,2,18H2,1H3;;;;;;/t24-,26-;;;;;;/m0....../s1
• InChIKey: BSOTVQNACGKBNC-VPWVSZOLSA-N
• XLogP: 4.87
• TPSA: 132.28 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	732.39
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[ethoxy-[(1S,7S)-3-oxo-1,5,7-triphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]methylidene]tungsten?

The IUPAC name of carbon monoxide;[ethoxy-[(1S,7S)-3-oxo-1,5,7-triphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]methylidene]tungsten (CID 135004592) is carbon monoxide;[ethoxy-[(1S,7S)-3-oxo-1,5,7-triphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]methylidene]tungsten.

What is the SMILES notation for carbon monoxide;[ethoxy-[(1S,7S)-3-oxo-1,5,7-triphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]methylidene]tungsten?

The canonical SMILES for carbon monoxide;[ethoxy-[(1S,7S)-3-oxo-1,5,7-triphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]methylidene]tungsten is CCOC(=[W])C1=C(c2ccccc2)N2C(=O)C[C@@H](c3ccccc3)N2[C@H]1c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].

What is the InChIKey of carbon monoxide;[ethoxy-[(1S,7S)-3-oxo-1,5,7-triphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]methylidene]tungsten?

The InChIKey is BSOTVQNACGKBNC-VPWVSZOLSA-N. The full InChI is InChI=1S/C27H24N2O2.5CO.W/c1-2-31-19-23-26(21-14-8-4-9-15-21)28-24(20-12-6-3-7-13-20)18-25(30)29(28)27(23)22-16-10-5-11-17-22;5*1-2;/h3-17,24,26H,2,18H2,1H3;;;;;;/t24-,26-;;;;;;/m0....../s1.

What are the key properties of carbon monoxide;[ethoxy-[(1S,7S)-3-oxo-1,5,7-triphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]methylidene]tungsten?

carbon monoxide;[ethoxy-[(1S,7S)-3-oxo-1,5,7-triphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]methylidene]tungsten has a molecular weight of 732.39 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for carbon monoxide;[ethoxy-[(1S,7S)-3-oxo-1,5,7-triphenyl-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazol-6-yl]methylidene]tungsten is sourced from PubChem (CID 135004592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).