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;bis(dimethylazanide);titanium(4+)

C28H58N4SiTi — CID 58594395

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;bis(dimethylazanide);titanium(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;bis(dimethylazanide);titanium(4+) (PubChem CID 58594395) has the molecular formula C28H58N4SiTi and a molecular weight of 526.75 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;bis(dimethylazanide);titanium(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;bis(dimethylazanide);titanium(4+)
• PubChem CID: 58594395
• Molecular Formula: C28H58N4SiTi
• Molecular Weight: 526.75 g/mol
• Exact Mass: 526.39
• 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;bis(dimethylazanide);titanium(4+)
• SMILES: CC1CCC2C(C1)C1C3CCCCC3C([Si](C)(C)[N-]C(C)(C)C)C1N2C.C[N-]C.C[N-]C.[CH3-].[Ti+4]
• InChI: InChI=1S/C23H43N2Si.2C2H6N.CH3.Ti/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;2*1-3-2;;/h15-22H,8-14H2,1-7H3;2*1-2H3;1H3;/q4*-1;+4
• InChIKey: WLUYCWKGIKYWOB-UHFFFAOYSA-N
• XLogP: 7.98
• TPSA: 45.54 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.75
LogP ≤ 5	7.98
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;bis(dimethylazanide);titanium(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;bis(dimethylazanide);titanium(4+) (CID 58594395) 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;bis(dimethylazanide);titanium(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;bis(dimethylazanide);titanium(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;bis(dimethylazanide);titanium(4+) is CC1CCC2C(C1)C1C3CCCCC3C([Si](C)(C)[N-]C(C)(C)C)C1N2C.C[N-]C.C[N-]C.[CH3-].[Ti+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;bis(dimethylazanide);titanium(4+)?

The InChIKey is WLUYCWKGIKYWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N2Si.2C2H6N.CH3.Ti/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;2*1-3-2;;/h15-22H,8-14H2,1-7H3;2*1-2H3;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;bis(dimethylazanide);titanium(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;bis(dimethylazanide);titanium(4+) has a molecular weight of 526.75 g/mol, XLogP of 7.98, 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;bis(dimethylazanide);titanium(4+) is sourced from PubChem (CID 58594395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).