inden-1-id-1-yl-methyl-diphenylsilane;titanium;trihydrochloride

C22H22Cl3SiTi- — CID 173383686

IUPACinden-1-id-1-yl-methyl-diphenylsilane;titanium;trihydrochloride
SMILESC[Si](c1ccccc1)(c1ccccc1)[c-]1ccc2ccccc21.Cl.Cl.Cl.[Ti]
InChIInChI=1S/C22H19Si.3ClH.Ti/c1-23(19-11-4-2-5-12-19,20-13-6-3-7-14-20)22-17-16-18-10-8-9-15-21(18)22;;;;/h2-17H,1H3;3*1H;/q-1;;;;
InChIKeyUQRYNQHSCCXKHB-UHFFFAOYSA-N
MW468.73 g/mol
LogP4.92
Rot. Bonds3

About inden-1-id-1-yl-methyl-diphenylsilane;titanium;trihydrochloride

inden-1-id-1-yl-methyl-diphenylsilane;titanium;trihydrochloride (PubChem CID 173383686) has the molecular formula C22H22Cl3SiTi- and a molecular weight of 468.73 g/mol. Its IUPAC name is inden-1-id-1-yl-methyl-diphenylsilane;titanium;trihydrochloride.

Molecular Properties

Compound Nameinden-1-id-1-yl-methyl-diphenylsilane;titanium;trihydrochloride
PubChem CID173383686
Molecular FormulaC22H22Cl3SiTi-
Molecular Weight468.73 g/mol
Exact Mass467.00
IUPAC Nameinden-1-id-1-yl-methyl-diphenylsilane;titanium;trihydrochloride
SMILESC[Si](c1ccccc1)(c1ccccc1)[c-]1ccc2ccccc21.Cl.Cl.Cl.[Ti]
InChIInChI=1S/C22H19Si.3ClH.Ti/c1-23(19-11-4-2-5-12-19,20-13-6-3-7-14-20)22-17-16-18-10-8-9-15-21(18)22;;;;/h2-17H,1H3;3*1H;/q-1;;;;
InChIKeyUQRYNQHSCCXKHB-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.73
LogP ≤ 54.92
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 inden-1-id-1-yl-methyl-diphenylsilane;titanium;trihydrochloride?
The IUPAC name of inden-1-id-1-yl-methyl-diphenylsilane;titanium;trihydrochloride (CID 173383686) is inden-1-id-1-yl-methyl-diphenylsilane;titanium;trihydrochloride.
What is the SMILES notation for inden-1-id-1-yl-methyl-diphenylsilane;titanium;trihydrochloride?
The canonical SMILES for inden-1-id-1-yl-methyl-diphenylsilane;titanium;trihydrochloride is C[Si](c1ccccc1)(c1ccccc1)[c-]1ccc2ccccc21.Cl.Cl.Cl.[Ti].
What is the InChIKey of inden-1-id-1-yl-methyl-diphenylsilane;titanium;trihydrochloride?
The InChIKey is UQRYNQHSCCXKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Si.3ClH.Ti/c1-23(19-11-4-2-5-12-19,20-13-6-3-7-14-20)22-17-16-18-10-8-9-15-21(18)22;;;;/h2-17H,1H3;3*1H;/q-1;;;;.
What are the key properties of inden-1-id-1-yl-methyl-diphenylsilane;titanium;trihydrochloride?
inden-1-id-1-yl-methyl-diphenylsilane;titanium;trihydrochloride has a molecular weight of 468.73 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for inden-1-id-1-yl-methyl-diphenylsilane;titanium;trihydrochloride is sourced from PubChem (CID 173383686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).