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

C25H50N2SiTi — CID 59061992

IUPACtert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide;carbanide;titanium(4+)
SMILESCC1CCC2C(C1)C1CC3CCCCC3C1N2[Si](C)(C)[N-]C(C)(C)C.[CH3-].[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C22H41N2Si.3CH3.Ti/c1-15-11-12-20-18(13-15)19-14-16-9-7-8-10-17(16)21(19)24(20)25(5,6)23-22(2,3)4;;;;/h15-21H,7-14H2,1-6H3;3*1H3;/q4*-1;+4
InChIKeyUKVCLOBNQWXCPT-UHFFFAOYSA-N
MW454.64 g/mol
LogP7.52
Rot. Bonds2

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

tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide;carbanide;titanium(4+) (PubChem CID 59061992) has the molecular formula C25H50N2SiTi and a molecular weight of 454.64 g/mol. Its IUPAC name is tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide;carbanide;titanium(4+).

Molecular Properties

Compound Nametert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide;carbanide;titanium(4+)
PubChem CID59061992
Molecular FormulaC25H50N2SiTi
Molecular Weight454.64 g/mol
Exact Mass454.32
IUPAC Nametert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide;carbanide;titanium(4+)
SMILESCC1CCC2C(C1)C1CC3CCCCC3C1N2[Si](C)(C)[N-]C(C)(C)C.[CH3-].[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C22H41N2Si.3CH3.Ti/c1-15-11-12-20-18(13-15)19-14-16-9-7-8-10-17(16)21(19)24(20)25(5,6)23-22(2,3)4;;;;/h15-21H,7-14H2,1-6H3;3*1H3;/q4*-1;+4
InChIKeyUKVCLOBNQWXCPT-UHFFFAOYSA-N
XLogP7.52
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.64
LogP ≤ 57.52
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-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide;carbanide;titanium(4+)?
The IUPAC name of tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide;carbanide;titanium(4+) (CID 59061992) is tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide;carbanide;titanium(4+).
What is the SMILES notation for tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide;carbanide;titanium(4+)?
The canonical SMILES for tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide;carbanide;titanium(4+) is CC1CCC2C(C1)C1CC3CCCCC3C1N2[Si](C)(C)[N-]C(C)(C)C.[CH3-].[CH3-].[CH3-].[Ti+4].
What is the InChIKey of tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide;carbanide;titanium(4+)?
The InChIKey is UKVCLOBNQWXCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N2Si.3CH3.Ti/c1-15-11-12-20-18(13-15)19-14-16-9-7-8-10-17(16)21(19)24(20)25(5,6)23-22(2,3)4;;;;/h15-21H,7-14H2,1-6H3;3*1H3;/q4*-1;+4.
What are the key properties of tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide;carbanide;titanium(4+)?
tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide;carbanide;titanium(4+) has a molecular weight of 454.64 g/mol, XLogP of 7.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide;carbanide;titanium(4+) is sourced from PubChem (CID 59061992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).