[bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;carbanide;zirconium(4+)

C32H49N3Si3Zr — CID 11433734

About [bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;carbanide;zirconium(4+)

[bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;carbanide;zirconium(4+) (PubChem CID 11433734) has the molecular formula C32H49N3Si3Zr and a molecular weight of 651.25 g/mol. Its IUPAC name is [bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;carbanide;zirconium(4+).

Molecular Properties

• Compound Name: [bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;carbanide;zirconium(4+)
• PubChem CID: 11433734
• Molecular Formula: C32H49N3Si3Zr
• Molecular Weight: 651.25 g/mol
• Exact Mass: 649.23
• IUPAC Name: [bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;carbanide;zirconium(4+)
• SMILES: C[C@H]([N-][Si](C)(C)C([Si](C)(C)[N-][C@@H](C)c1ccccc1)[Si](C)(C)[N-][C@@H](C)c1ccccc1)c1ccccc1.[CH3-].[Zr+4]
• InChI: InChI=1S/C31H46N3Si3.CH3.Zr/c1-25(28-19-13-10-14-20-28)32-35(4,5)31(36(6,7)33-26(2)29-21-15-11-16-22-29)37(8,9)34-27(3)30-23-17-12-18-24-30;;/h10-27,31H,1-9H3;1H3;/q-3;-1;+4/t25-,26-,27-;;/m0../s1
• InChIKey: BPRSPIRTMNVEBE-DXDRFYQPSA-N
• XLogP: 10.90
• TPSA: 42.30 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.25
LogP ≤ 5	10.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;carbanide;zirconium(4+)?

The IUPAC name of [bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;carbanide;zirconium(4+) (CID 11433734) is [bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;carbanide;zirconium(4+).

What is the SMILES notation for [bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;carbanide;zirconium(4+)?

The canonical SMILES for [bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;carbanide;zirconium(4+) is C[C@H]([N-][Si](C)(C)C([Si](C)(C)[N-][C@@H](C)c1ccccc1)[Si](C)(C)[N-][C@@H](C)c1ccccc1)c1ccccc1.[CH3-].[Zr+4].

What is the InChIKey of [bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;carbanide;zirconium(4+)?

The InChIKey is BPRSPIRTMNVEBE-DXDRFYQPSA-N. The full InChI is InChI=1S/C31H46N3Si3.CH3.Zr/c1-25(28-19-13-10-14-20-28)32-35(4,5)31(36(6,7)33-26(2)29-21-15-11-16-22-29)37(8,9)34-27(3)30-23-17-12-18-24-30;;/h10-27,31H,1-9H3;1H3;/q-3;-1;+4/t25-,26-,27-;;/m0../s1.

What are the key properties of [bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;carbanide;zirconium(4+)?

[bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;carbanide;zirconium(4+) has a molecular weight of 651.25 g/mol, XLogP of 10.90, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for [bis[dimethyl-[(1S)-1-phenylethyl]azanidylsilyl]methyl-dimethylsilyl]-[(1S)-1-phenylethyl]azanide;carbanide;zirconium(4+) is sourced from PubChem (CID 11433734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).