tert-butyl-[[3-[2-[3-[tert-butylazanidyl(dimethyl)silyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+);zirconium(4+)

C36H66N2Si2TiZr+2 — CID 23232326

About tert-butyl-[[3-[2-[3-[tert-butylazanidyl(dimethyl)silyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+);zirconium(4+)

tert-butyl-[[3-[2-[3-[tert-butylazanidyl(dimethyl)silyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+);zirconium(4+) (PubChem CID 23232326) has the molecular formula C36H66N2Si2TiZr+2 and a molecular weight of 722.20 g/mol. Its IUPAC name is tert-butyl-[[3-[2-[3-[tert-butylazanidyl(dimethyl)silyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+);zirconium(4+).

Molecular Properties

• Compound Name: tert-butyl-[[3-[2-[3-[tert-butylazanidyl(dimethyl)silyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+);zirconium(4+)
• PubChem CID: 23232326
• Molecular Formula: C36H66N2Si2TiZr+2
• Molecular Weight: 722.20 g/mol
• Exact Mass: 720.33
• IUPAC Name: tert-butyl-[[3-[2-[3-[tert-butylazanidyl(dimethyl)silyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+);zirconium(4+)
• SMILES: CC(C)(C)[N-][Si](C)(C)C1CC(CCC2CC([Si](C)(C)[N-]C(C)(C)C)C3C=CC=CC23)C2C=CC=CC21.[CH3-].[CH3-].[CH3-].[CH3-].[Ti+4].[Zr+4]
• InChI: InChI=1S/C32H54N2Si2.4CH3.Ti.Zr/c1-31(2,3)33-35(7,8)29-21-23(25-15-11-13-17-27(25)29)19-20-24-22-30(28-18-14-12-16-26(24)28)36(9,10)34-32(4,5)6;;;;;;/h11-18,23-30H,19-22H2,1-10H3;4*1H3;;/q-2;4*-1;2*+4
• InChIKey: ZVUFXZDGFHILCB-UHFFFAOYSA-N
• XLogP: 11.81
• TPSA: 28.20 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	722.20
LogP ≤ 5	11.81
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 tert-butyl-[[3-[2-[3-[tert-butylazanidyl(dimethyl)silyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+);zirconium(4+)?

The IUPAC name of tert-butyl-[[3-[2-[3-[tert-butylazanidyl(dimethyl)silyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+);zirconium(4+) (CID 23232326) is tert-butyl-[[3-[2-[3-[tert-butylazanidyl(dimethyl)silyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+);zirconium(4+).

What is the SMILES notation for tert-butyl-[[3-[2-[3-[tert-butylazanidyl(dimethyl)silyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+);zirconium(4+)?

The canonical SMILES for tert-butyl-[[3-[2-[3-[tert-butylazanidyl(dimethyl)silyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+);zirconium(4+) is CC(C)(C)[N-][Si](C)(C)C1CC(CCC2CC([Si](C)(C)[N-]C(C)(C)C)C3C=CC=CC23)C2C=CC=CC21.[CH3-].[CH3-].[CH3-].[CH3-].[Ti+4].[Zr+4].

What is the InChIKey of tert-butyl-[[3-[2-[3-[tert-butylazanidyl(dimethyl)silyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+);zirconium(4+)?

The InChIKey is ZVUFXZDGFHILCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54N2Si2.4CH3.Ti.Zr/c1-31(2,3)33-35(7,8)29-21-23(25-15-11-13-17-27(25)29)19-20-24-22-30(28-18-14-12-16-26(24)28)36(9,10)34-32(4,5)6;;;;;;/h11-18,23-30H,19-22H2,1-10H3;4*1H3;;/q-2;4*-1;2*+4.

What are the key properties of tert-butyl-[[3-[2-[3-[tert-butylazanidyl(dimethyl)silyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+);zirconium(4+)?

tert-butyl-[[3-[2-[3-[tert-butylazanidyl(dimethyl)silyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+);zirconium(4+) has a molecular weight of 722.20 g/mol, XLogP of 11.81, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[3-[2-[3-[tert-butylazanidyl(dimethyl)silyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]ethyl]-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+);zirconium(4+) is sourced from PubChem (CID 23232326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).