tert-butyl-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilyl]azanide;carbanide;zirconium(4+)

C26H52N2SiZr — CID 58594399

About tert-butyl-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilyl]azanide;carbanide;zirconium(4+)

tert-butyl-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilyl]azanide;carbanide;zirconium(4+) (PubChem CID 58594399) has the molecular formula C26H52N2SiZr and a molecular weight of 512.03 g/mol. Its IUPAC name is tert-butyl-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilyl]azanide;carbanide;zirconium(4+).

Molecular Properties

• Compound Name: tert-butyl-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilyl]azanide;carbanide;zirconium(4+)
• PubChem CID: 58594399
• Molecular Formula: C26H52N2SiZr
• Molecular Weight: 512.03 g/mol
• Exact Mass: 510.29
• IUPAC Name: tert-butyl-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilyl]azanide;carbanide;zirconium(4+)
• SMILES: CC1CCC2C(C1)C1C3CCCCC3C([Si](C)(C)[N-]C(C)(C)C)C1N2C.[CH3-].[CH3-].[CH3-].[Zr+4]
• InChI: InChI=1S/C23H43N2Si.3CH3.Zr/c1-15-12-13-19-18(14-15)20-16-10-8-9-11-17(16)22(21(20)25(19)5)26(6,7)24-23(2,3)4;;;;/h15-22H,8-14H2,1-7H3;3*1H3;/q4*-1;+4
• InChIKey: YAVQUPFJRBBITH-UHFFFAOYSA-N
• XLogP: 7.64
• TPSA: 17.34 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.03
LogP ≤ 5	7.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilyl]azanide;carbanide;zirconium(4+)?

The IUPAC name of tert-butyl-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilyl]azanide;carbanide;zirconium(4+) (CID 58594399) is tert-butyl-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilyl]azanide;carbanide;zirconium(4+).

What is the SMILES notation for tert-butyl-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilyl]azanide;carbanide;zirconium(4+)?

The canonical SMILES for tert-butyl-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilyl]azanide;carbanide;zirconium(4+) is CC1CCC2C(C1)C1C3CCCCC3C([Si](C)(C)[N-]C(C)(C)C)C1N2C.[CH3-].[CH3-].[CH3-].[Zr+4].

What is the InChIKey of tert-butyl-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilyl]azanide;carbanide;zirconium(4+)?

The InChIKey is YAVQUPFJRBBITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N2Si.3CH3.Zr/c1-15-12-13-19-18(14-15)20-16-10-8-9-11-17(16)22(21(20)25(19)5)26(6,7)24-23(2,3)4;;;;/h15-22H,8-14H2,1-7H3;3*1H3;/q4*-1;+4.

What are the key properties of tert-butyl-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilyl]azanide;carbanide;zirconium(4+)?

tert-butyl-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilyl]azanide;carbanide;zirconium(4+) has a molecular weight of 512.03 g/mol, XLogP of 7.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilyl]azanide;carbanide;zirconium(4+) is sourced from PubChem (CID 58594399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).