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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Related Compounds

(2,3-dimethylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride
CID 173383669
titanium(4+);tris[3,5-di(propan-2-yl)phenyl]-(2-phenylcyclopenta-2,4-dien-1-yl)silane;trichloride
CID 162044522
(3-butylcyclopenta-2,4-dien-1-yl)-diethyl-phenylsilane;titanium(4+);trichloride
CID 173384658
diethyl-inden-1-id-1-yl-phenylsilane;trichlorotitanium(1+)
CID 88592866
ethyl(triphenyl)silane
CID 5219688
2-(ethyl-methyl-phenylsilyl)ethanol
CID 123225055
[diethyl(trimethylsilyl)silyl]-[[diethyl(triphenylsilyl)silyl]-diethylsilyl]-diethylsilane
CID 22918074
ethoxy-(ethoxy-methyl-phenylsilyl)-methyl-phenylsilane
CID 19809309
(2-phenylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride
CID 158076869
ethyl-methyl-phenyl-(5-phenylcyclopenta-1,4-dien-1-yl)silane;titanium(4+);trichloride
CID 173383302
ethane;methane;propane;trimethyl(phenyl)silane
CID 158039342
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688

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).