diethyl-phenyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride

C21H23Cl3SiTi — CID 173384723

IUPACdiethyl-phenyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride
SMILESCC[Si](CC)(c1ccccc1)[c-]1cccc1-c1ccccc1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C21H23Si.3ClH.Ti/c1-3-22(4-2,19-14-9-6-10-15-19)21-17-11-16-20(21)18-12-7-5-8-13-18;;;;/h5-17H,3-4H2,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyKTQSITSRMCHCMU-UHFFFAOYSA-K
MW457.73 g/mol
LogP-4.32
Rot. Bonds5

About diethyl-phenyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride

diethyl-phenyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride (PubChem CID 173384723) has the molecular formula C21H23Cl3SiTi and a molecular weight of 457.73 g/mol. Its IUPAC name is diethyl-phenyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride.

Molecular Properties

Compound Namediethyl-phenyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride
PubChem CID173384723
Molecular FormulaC21H23Cl3SiTi
Molecular Weight457.73 g/mol
Exact Mass456.01
IUPAC Namediethyl-phenyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride
SMILESCC[Si](CC)(c1ccccc1)[c-]1cccc1-c1ccccc1.[Cl-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C21H23Si.3ClH.Ti/c1-3-22(4-2,19-14-9-6-10-15-19)21-17-11-16-20(21)18-12-7-5-8-13-18;;;;/h5-17H,3-4H2,1-2H3;3*1H;/q-1;;;;+4/p-3
InChIKeyKTQSITSRMCHCMU-UHFFFAOYSA-K
XLogP-4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.73
LogP ≤ 5-4.32
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 diethyl-phenyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride?
The IUPAC name of diethyl-phenyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride (CID 173384723) is diethyl-phenyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride.
What is the SMILES notation for diethyl-phenyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride?
The canonical SMILES for diethyl-phenyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride is CC[Si](CC)(c1ccccc1)[c-]1cccc1-c1ccccc1.[Cl-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of diethyl-phenyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride?
The InChIKey is KTQSITSRMCHCMU-UHFFFAOYSA-K. The full InChI is InChI=1S/C21H23Si.3ClH.Ti/c1-3-22(4-2,19-14-9-6-10-15-19)21-17-11-16-20(21)18-12-7-5-8-13-18;;;;/h5-17H,3-4H2,1-2H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of diethyl-phenyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride?
diethyl-phenyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride has a molecular weight of 457.73 g/mol, XLogP of -4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-phenyl-(2-phenylcyclopenta-2,4-dien-1-yl)silane;titanium(4+);trichloride is sourced from PubChem (CID 173384723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).