[(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium;dichloride

C22H28Cl2NOSiTi- — CID 173157457

IUPAC[(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium;dichloride
SMILESCC(C)(C)[N+](C)(C)[Si](=O)C1C(Cc2ccccc2)=Cc2ccccc21.[Cl-].[Cl-].[Ti]
InChIInChI=1S/C22H28NOSi.2ClH.Ti/c1-22(2,3)23(4,5)25(24)21-19(15-17-11-7-6-8-12-17)16-18-13-9-10-14-20(18)21;;;/h6-14,16,21H,15H2,1-5H3;2*1H;/q+1;;;/p-2
InChIKeyXWMZTPFVHPYWFM-UHFFFAOYSA-L
MW469.33 g/mol
LogP-1.25
Rot. Bonds4

About [(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium;dichloride

[(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium;dichloride (PubChem CID 173157457) has the molecular formula C22H28Cl2NOSiTi- and a molecular weight of 469.33 g/mol. Its IUPAC name is [(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium;dichloride.

Molecular Properties

Compound Name[(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium;dichloride
PubChem CID173157457
Molecular FormulaC22H28Cl2NOSiTi-
Molecular Weight469.33 g/mol
Exact Mass468.08
IUPAC Name[(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium;dichloride
SMILESCC(C)(C)[N+](C)(C)[Si](=O)C1C(Cc2ccccc2)=Cc2ccccc21.[Cl-].[Cl-].[Ti]
InChIInChI=1S/C22H28NOSi.2ClH.Ti/c1-22(2,3)23(4,5)25(24)21-19(15-17-11-7-6-8-12-17)16-18-13-9-10-14-20(18)21;;;/h6-14,16,21H,15H2,1-5H3;2*1H;/q+1;;;/p-2
InChIKeyXWMZTPFVHPYWFM-UHFFFAOYSA-L
XLogP-1.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.33
LogP ≤ 5-1.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium
CID 87871084
1-tert-butyl-2-[(1-tert-butyl-1H-inden-2-yl)methyl]-1H-indene
CID 54456001
3-benzyl-2-ethyl-2H-chromene
CID 13045520
N,2-dimethyl-N-[[2-(2-methyl-2-phenylpropyl)-1H-inden-1-yl]methyl-oxosilyl]propan-2-amine;titanium(4+);dichloride
CID 157185777
2-(4-phenylbutyl)-1-propyl-1H-indene
CID 58673845
N-[[2-(cyclohexylmethyl)-1H-inden-1-yl]methyl-oxosilyl]-N,2-dimethylpropan-2-amine;titanium(4+);dichloride
CID 157185328
CID 173206026
CID 173206026
1,2-diethyl-1H-indene
CID 54262428
CID 141477834
CID 141477834
CID 174992277
CID 174992277
2-pentyl-1-[2-(2-pentyl-1H-inden-1-yl)propan-2-yl]-1H-indene
CID 139962800
1-cyclohexyl-2-ethyl-1H-indene
CID 173422098

Frequently Asked Questions

What is the IUPAC name of [(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium;dichloride?
The IUPAC name of [(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium;dichloride (CID 173157457) is [(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium;dichloride.
What is the SMILES notation for [(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium;dichloride?
The canonical SMILES for [(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium;dichloride is CC(C)(C)[N+](C)(C)[Si](=O)C1C(Cc2ccccc2)=Cc2ccccc21.[Cl-].[Cl-].[Ti].
What is the InChIKey of [(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium;dichloride?
The InChIKey is XWMZTPFVHPYWFM-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H28NOSi.2ClH.Ti/c1-22(2,3)23(4,5)25(24)21-19(15-17-11-7-6-8-12-17)16-18-13-9-10-14-20(18)21;;;/h6-14,16,21H,15H2,1-5H3;2*1H;/q+1;;;/p-2.
What are the key properties of [(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium;dichloride?
[(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium;dichloride has a molecular weight of 469.33 g/mol, XLogP of -1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium;dichloride is sourced from PubChem (CID 173157457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).