tert-butyl-[(5-ethyl-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;titanium(4+)

C26H52N2SiTi — CID 146899502

IUPACtert-butyl-[(5-ethyl-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;titanium(4+)
SMILESCCN1C2CCCCC2C2C3CCCCC3C([Si](C)(C)[N-]C(C)(C)C)C21.[CH3-].[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C23H43N2Si.3CH3.Ti/c1-7-25-19-15-11-10-14-18(19)20-16-12-8-9-13-17(16)22(21(20)25)26(5,6)24-23(2,3)4;;;;/h16-22H,7-15H2,1-6H3;3*1H3;/q4*-1;+4
InChIKeyNNSLKLQRAZRKSB-UHFFFAOYSA-N
MW468.67 g/mol
LogP7.78
Rot. Bonds3

About tert-butyl-[(5-ethyl-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;titanium(4+)

tert-butyl-[(5-ethyl-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;titanium(4+) (PubChem CID 146899502) has the molecular formula C26H52N2SiTi and a molecular weight of 468.67 g/mol. Its IUPAC name is tert-butyl-[(5-ethyl-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;titanium(4+).

Molecular Properties

Compound Nametert-butyl-[(5-ethyl-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;titanium(4+)
PubChem CID146899502
Molecular FormulaC26H52N2SiTi
Molecular Weight468.67 g/mol
Exact Mass468.34
IUPAC Nametert-butyl-[(5-ethyl-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;titanium(4+)
SMILESCCN1C2CCCCC2C2C3CCCCC3C([Si](C)(C)[N-]C(C)(C)C)C21.[CH3-].[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C23H43N2Si.3CH3.Ti/c1-7-25-19-15-11-10-14-18(19)20-16-12-8-9-13-17(16)22(21(20)25)26(5,6)24-23(2,3)4;;;;/h16-22H,7-15H2,1-6H3;3*1H3;/q4*-1;+4
InChIKeyNNSLKLQRAZRKSB-UHFFFAOYSA-N
XLogP7.78
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.67
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5-ethyl-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;titanium(4+)?
The IUPAC name of tert-butyl-[(5-ethyl-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;titanium(4+) (CID 146899502) is tert-butyl-[(5-ethyl-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;titanium(4+).
What is the SMILES notation for tert-butyl-[(5-ethyl-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;titanium(4+)?
The canonical SMILES for tert-butyl-[(5-ethyl-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;titanium(4+) is CCN1C2CCCCC2C2C3CCCCC3C([Si](C)(C)[N-]C(C)(C)C)C21.[CH3-].[CH3-].[CH3-].[Ti+4].
What is the InChIKey of tert-butyl-[(5-ethyl-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;titanium(4+)?
The InChIKey is NNSLKLQRAZRKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N2Si.3CH3.Ti/c1-7-25-19-15-11-10-14-18(19)20-16-12-8-9-13-17(16)22(21(20)25)26(5,6)24-23(2,3)4;;;;/h16-22H,7-15H2,1-6H3;3*1H3;/q4*-1;+4.
What are the key properties of tert-butyl-[(5-ethyl-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;titanium(4+)?
tert-butyl-[(5-ethyl-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;titanium(4+) has a molecular weight of 468.67 g/mol, XLogP of 7.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5-ethyl-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;titanium(4+) is sourced from PubChem (CID 146899502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).