1H-inden-1-id-2-yl-dimethyl-phenylsilane;titanium(4+);trichloride

C17H17Cl3SiTi — CID 173474381

IUPAC1H-inden-1-id-2-yl-dimethyl-phenylsilane;titanium(4+);trichloride
SMILESC[Si](C)(c1ccccc1)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C17H17Si.3ClH.Ti/c1-18(2,16-10-4-3-5-11-16)17-12-14-8-6-7-9-15(14)13-17;;;;/h3-13H,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyXTTADXYARLGDHV-UHFFFAOYSA-K
MW403.64 g/mol
LogP-5.61
Rot. Bonds2

About 1H-inden-1-id-2-yl-dimethyl-phenylsilane;titanium(4+);trichloride

1H-inden-1-id-2-yl-dimethyl-phenylsilane;titanium(4+);trichloride (PubChem CID 173474381) has the molecular formula C17H17Cl3SiTi and a molecular weight of 403.64 g/mol. Its IUPAC name is 1H-inden-1-id-2-yl-dimethyl-phenylsilane;titanium(4+);trichloride.

Molecular Properties

Compound Name1H-inden-1-id-2-yl-dimethyl-phenylsilane;titanium(4+);trichloride
PubChem CID173474381
Molecular FormulaC17H17Cl3SiTi
Molecular Weight403.64 g/mol
Exact Mass401.96
IUPAC Name1H-inden-1-id-2-yl-dimethyl-phenylsilane;titanium(4+);trichloride
SMILESC[Si](C)(c1ccccc1)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C17H17Si.3ClH.Ti/c1-18(2,16-10-4-3-5-11-16)17-12-14-8-6-7-9-15(14)13-17;;;;/h3-13H,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyXTTADXYARLGDHV-UHFFFAOYSA-K
XLogP-5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.64
LogP ≤ 5-5.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 173274406
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CID 173385035
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2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;propan-2-ylidenezirconium(2+);dichloride
CID 18369824
bis(1H-inden-1-id-2-yl-di(propan-2-yl)phosphane);titanium(4+);dichloride
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Frequently Asked Questions

What is the IUPAC name of 1H-inden-1-id-2-yl-dimethyl-phenylsilane;titanium(4+);trichloride?
The IUPAC name of 1H-inden-1-id-2-yl-dimethyl-phenylsilane;titanium(4+);trichloride (CID 173474381) is 1H-inden-1-id-2-yl-dimethyl-phenylsilane;titanium(4+);trichloride.
What is the SMILES notation for 1H-inden-1-id-2-yl-dimethyl-phenylsilane;titanium(4+);trichloride?
The canonical SMILES for 1H-inden-1-id-2-yl-dimethyl-phenylsilane;titanium(4+);trichloride is C[Si](C)(c1ccccc1)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of 1H-inden-1-id-2-yl-dimethyl-phenylsilane;titanium(4+);trichloride?
The InChIKey is XTTADXYARLGDHV-UHFFFAOYSA-K. The full InChI is InChI=1S/C17H17Si.3ClH.Ti/c1-18(2,16-10-4-3-5-11-16)17-12-14-8-6-7-9-15(14)13-17;;;;/h3-13H,1-2H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of 1H-inden-1-id-2-yl-dimethyl-phenylsilane;titanium(4+);trichloride?
1H-inden-1-id-2-yl-dimethyl-phenylsilane;titanium(4+);trichloride has a molecular weight of 403.64 g/mol, XLogP of -5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-id-2-yl-dimethyl-phenylsilane;titanium(4+);trichloride is sourced from PubChem (CID 173474381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).