1,9-dihydrofluoren-1-id-9-yl-dimethyl-phenylsilane;titanium(4+);trichloride

C21H19Cl3SiTi — CID 173384978

IUPAC1,9-dihydrofluoren-1-id-9-yl-dimethyl-phenylsilane;titanium(4+);trichloride
SMILESC[Si](C)(c1ccccc1)C1c2[c-]cccc2-c2ccccc21.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C21H19Si.3ClH.Ti/c1-22(2,16-10-4-3-5-11-16)21-19-14-8-6-12-17(19)18-13-7-9-15-20(18)21;;;;/h3-14,21H,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyHVFGJZVKMYNPSC-UHFFFAOYSA-K
MW453.70 g/mol
LogP-4.24
Rot. Bonds2

About 1,9-dihydrofluoren-1-id-9-yl-dimethyl-phenylsilane;titanium(4+);trichloride

1,9-dihydrofluoren-1-id-9-yl-dimethyl-phenylsilane;titanium(4+);trichloride (PubChem CID 173384978) has the molecular formula C21H19Cl3SiTi and a molecular weight of 453.70 g/mol. Its IUPAC name is 1,9-dihydrofluoren-1-id-9-yl-dimethyl-phenylsilane;titanium(4+);trichloride.

Molecular Properties

Compound Name1,9-dihydrofluoren-1-id-9-yl-dimethyl-phenylsilane;titanium(4+);trichloride
PubChem CID173384978
Molecular FormulaC21H19Cl3SiTi
Molecular Weight453.70 g/mol
Exact Mass451.98
IUPAC Name1,9-dihydrofluoren-1-id-9-yl-dimethyl-phenylsilane;titanium(4+);trichloride
SMILESC[Si](C)(c1ccccc1)C1c2[c-]cccc2-c2ccccc21.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C21H19Si.3ClH.Ti/c1-22(2,16-10-4-3-5-11-16)21-19-14-8-6-12-17(19)18-13-7-9-15-20(18)21;;;;/h3-14,21H,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyHVFGJZVKMYNPSC-UHFFFAOYSA-K
XLogP-4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.70
LogP ≤ 5-4.24
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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Frequently Asked Questions

What is the IUPAC name of 1,9-dihydrofluoren-1-id-9-yl-dimethyl-phenylsilane;titanium(4+);trichloride?
The IUPAC name of 1,9-dihydrofluoren-1-id-9-yl-dimethyl-phenylsilane;titanium(4+);trichloride (CID 173384978) is 1,9-dihydrofluoren-1-id-9-yl-dimethyl-phenylsilane;titanium(4+);trichloride.
What is the SMILES notation for 1,9-dihydrofluoren-1-id-9-yl-dimethyl-phenylsilane;titanium(4+);trichloride?
The canonical SMILES for 1,9-dihydrofluoren-1-id-9-yl-dimethyl-phenylsilane;titanium(4+);trichloride is C[Si](C)(c1ccccc1)C1c2[c-]cccc2-c2ccccc21.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of 1,9-dihydrofluoren-1-id-9-yl-dimethyl-phenylsilane;titanium(4+);trichloride?
The InChIKey is HVFGJZVKMYNPSC-UHFFFAOYSA-K. The full InChI is InChI=1S/C21H19Si.3ClH.Ti/c1-22(2,16-10-4-3-5-11-16)21-19-14-8-6-12-17(19)18-13-7-9-15-20(18)21;;;;/h3-14,21H,1-2H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of 1,9-dihydrofluoren-1-id-9-yl-dimethyl-phenylsilane;titanium(4+);trichloride?
1,9-dihydrofluoren-1-id-9-yl-dimethyl-phenylsilane;titanium(4+);trichloride has a molecular weight of 453.70 g/mol, XLogP of -4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dihydrofluoren-1-id-9-yl-dimethyl-phenylsilane;titanium(4+);trichloride is sourced from PubChem (CID 173384978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).