[(4-methylphenyl)diazenyl]-(trimethylsilylmethyl)azanide;tris((C-methyl-N-propan-2-ylcarbonimidoyl)-propan-2-ylazanide);thorium(4+)

C35H69N9SiTh — CID 139051852

About [(4-methylphenyl)diazenyl]-(trimethylsilylmethyl)azanide;tris((C-methyl-N-propan-2-ylcarbonimidoyl)-propan-2-ylazanide);thorium(4+)

[(4-methylphenyl)diazenyl]-(trimethylsilylmethyl)azanide;tris((C-methyl-N-propan-2-ylcarbonimidoyl)-propan-2-ylazanide);thorium(4+) (PubChem CID 139051852) has the molecular formula C35H69N9SiTh and a molecular weight of 876.12 g/mol. Its IUPAC name is [(4-methylphenyl)diazenyl]-(trimethylsilylmethyl)azanide;tris((C-methyl-N-propan-2-ylcarbonimidoyl)-propan-2-ylazanide);thorium(4+).

Molecular Properties

• Compound Name: [(4-methylphenyl)diazenyl]-(trimethylsilylmethyl)azanide;tris((C-methyl-N-propan-2-ylcarbonimidoyl)-propan-2-ylazanide);thorium(4+)
• PubChem CID: 139051852
• Molecular Formula: C35H69N9SiTh
• Molecular Weight: 876.12 g/mol
• Exact Mass: 875.58
• IUPAC Name: [(4-methylphenyl)diazenyl]-(trimethylsilylmethyl)azanide;tris((C-methyl-N-propan-2-ylcarbonimidoyl)-propan-2-ylazanide);thorium(4+)
• SMILES: C/C(=N\C(C)C)[N-]C(C)C.C/C(=N\C(C)C)[N-]C(C)C.CC(=NC(C)C)[N-]C(C)C.Cc1ccc(/N=N\[N-]C[Si](C)(C)C)cc1.[Th+4]
• InChI: InChI=1S/C11H18N3Si.3C8H17N2.Th/c1-10-5-7-11(8-6-10)13-14-12-9-15(2,3)4;3*1-6(2)9-8(5)10-7(3)4;/h5-8H,9H2,1-4H3;3*6-7H,1-5H3;/q4*-1;+4
• InChIKey: LBMBRXSLOKZUMI-UHFFFAOYSA-N
• XLogP: 12.03
• TPSA: 118.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	876.12
LogP ≤ 5	12.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(4-methylphenyl)diazenyl]-(trimethylsilylmethyl)azanide;tris((C-methyl-N-propan-2-ylcarbonimidoyl)-propan-2-ylazanide);thorium(4+)?

The IUPAC name of [(4-methylphenyl)diazenyl]-(trimethylsilylmethyl)azanide;tris((C-methyl-N-propan-2-ylcarbonimidoyl)-propan-2-ylazanide);thorium(4+) (CID 139051852) is [(4-methylphenyl)diazenyl]-(trimethylsilylmethyl)azanide;tris((C-methyl-N-propan-2-ylcarbonimidoyl)-propan-2-ylazanide);thorium(4+).

What is the SMILES notation for [(4-methylphenyl)diazenyl]-(trimethylsilylmethyl)azanide;tris((C-methyl-N-propan-2-ylcarbonimidoyl)-propan-2-ylazanide);thorium(4+)?

The canonical SMILES for [(4-methylphenyl)diazenyl]-(trimethylsilylmethyl)azanide;tris((C-methyl-N-propan-2-ylcarbonimidoyl)-propan-2-ylazanide);thorium(4+) is C/C(=N\C(C)C)[N-]C(C)C.C/C(=N\C(C)C)[N-]C(C)C.CC(=NC(C)C)[N-]C(C)C.Cc1ccc(/N=N\[N-]C[Si](C)(C)C)cc1.[Th+4].

What is the InChIKey of [(4-methylphenyl)diazenyl]-(trimethylsilylmethyl)azanide;tris((C-methyl-N-propan-2-ylcarbonimidoyl)-propan-2-ylazanide);thorium(4+)?

The InChIKey is LBMBRXSLOKZUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N3Si.3C8H17N2.Th/c1-10-5-7-11(8-6-10)13-14-12-9-15(2,3)4;3*1-6(2)9-8(5)10-7(3)4;/h5-8H,9H2,1-4H3;3*6-7H,1-5H3;/q4*-1;+4.

What are the key properties of [(4-methylphenyl)diazenyl]-(trimethylsilylmethyl)azanide;tris((C-methyl-N-propan-2-ylcarbonimidoyl)-propan-2-ylazanide);thorium(4+)?

[(4-methylphenyl)diazenyl]-(trimethylsilylmethyl)azanide;tris((C-methyl-N-propan-2-ylcarbonimidoyl)-propan-2-ylazanide);thorium(4+) has a molecular weight of 876.12 g/mol, XLogP of 12.03, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(4-methylphenyl)diazenyl]-(trimethylsilylmethyl)azanide;tris((C-methyl-N-propan-2-ylcarbonimidoyl)-propan-2-ylazanide);thorium(4+) is sourced from PubChem (CID 139051852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).