carbon monoxide;dichloromethane;bis(oxygen(2-));bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);tungsten;diiodide

C32H46B2Cl2I2N12O3W2-8 — CID 139138267

About carbon monoxide;dichloromethane;bis(oxygen(2-));bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);tungsten;diiodide

carbon monoxide;dichloromethane;bis(oxygen(2-));bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);tungsten;diiodide (PubChem CID 139138267) has the molecular formula C32H46B2Cl2I2N12O3W2-8 and a molecular weight of 1360.82 g/mol. Its IUPAC name is carbon monoxide;dichloromethane;bis(oxygen(2-));bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);tungsten;diiodide.

Molecular Properties

• Compound Name: carbon monoxide;dichloromethane;bis(oxygen(2-));bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);tungsten;diiodide
• PubChem CID: 139138267
• Molecular Formula: C32H46B2Cl2I2N12O3W2-8
• Molecular Weight: 1360.82 g/mol
• Exact Mass: 1360.05
• IUPAC Name: carbon monoxide;dichloromethane;bis(oxygen(2-));bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);tungsten;diiodide
• SMILES: Cc1cc(C)n([BH-](n2nc(C)cc2C)n2nc(C)cc2C)n1.Cc1cc(C)n([BH-](n2nc(C)cc2C)n2nc(C)cc2C)n1.ClCCl.[C-]#[O+].[I-].[I-].[O-2].[O-2].[W].[W]
• InChI: InChI=1S/2C15H22BN6.CH2Cl2.CO.2HI.2O.2W/c2*1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;2-1-3;1-2;;;;;;/h2*7-9,16H,1-6H3;1H2;;2*1H;;;;/q2*-1;;;;;2*-2;;/p-2
• InChIKey: WZIPDFSAGJYTCK-UHFFFAOYSA-L
• XLogP: -1.27
• TPSA: 183.82 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1360.82
LogP ≤ 5	-1.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;dichloromethane;bis(oxygen(2-));bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);tungsten;diiodide?

The IUPAC name of carbon monoxide;dichloromethane;bis(oxygen(2-));bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);tungsten;diiodide (CID 139138267) is carbon monoxide;dichloromethane;bis(oxygen(2-));bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);tungsten;diiodide.

What is the SMILES notation for carbon monoxide;dichloromethane;bis(oxygen(2-));bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);tungsten;diiodide?

The canonical SMILES for carbon monoxide;dichloromethane;bis(oxygen(2-));bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);tungsten;diiodide is Cc1cc(C)n([BH-](n2nc(C)cc2C)n2nc(C)cc2C)n1.Cc1cc(C)n([BH-](n2nc(C)cc2C)n2nc(C)cc2C)n1.ClCCl.[C-]#[O+].[I-].[I-].[O-2].[O-2].[W].[W].

What is the InChIKey of carbon monoxide;dichloromethane;bis(oxygen(2-));bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);tungsten;diiodide?

The InChIKey is WZIPDFSAGJYTCK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H22BN6.CH2Cl2.CO.2HI.2O.2W/c2*1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;2-1-3;1-2;;;;;;/h2*7-9,16H,1-6H3;1H2;;2*1H;;;;/q2*-1;;;;;2*-2;;/p-2.

What are the key properties of carbon monoxide;dichloromethane;bis(oxygen(2-));bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);tungsten;diiodide?

carbon monoxide;dichloromethane;bis(oxygen(2-));bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);tungsten;diiodide has a molecular weight of 1360.82 g/mol, XLogP of -1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for carbon monoxide;dichloromethane;bis(oxygen(2-));bis(tris(3,5-dimethylpyrazol-1-yl)boranuide);tungsten;diiodide is sourced from PubChem (CID 139138267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).