dimethylsilylidenetitanium(2+);bis(2-phenyl-1H-inden-1-ide);dichloride

C32H28Cl2SiTi-2 — CID 87100881

IUPACdimethylsilylidenetitanium(2+);bis(2-phenyl-1H-inden-1-ide);dichloride
SMILESC[Si](C)=[Ti+2].[Cl-].[Cl-].c1ccc(-c2cc3ccccc3[cH-]2)cc1.c1ccc(-c2cc3ccccc3[cH-]2)cc1
InChIInChI=1S/2C15H11.C2H6Si.2ClH.Ti/c2*1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15;1-3-2;;;/h2*1-11H;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyHNIATCOCNCXNRU-UHFFFAOYSA-L
MW559.44 g/mol
LogP3.24
Rot. Bonds2

About dimethylsilylidenetitanium(2+);bis(2-phenyl-1H-inden-1-ide);dichloride

dimethylsilylidenetitanium(2+);bis(2-phenyl-1H-inden-1-ide);dichloride (PubChem CID 87100881) has the molecular formula C32H28Cl2SiTi-2 and a molecular weight of 559.44 g/mol. Its IUPAC name is dimethylsilylidenetitanium(2+);bis(2-phenyl-1H-inden-1-ide);dichloride.

Molecular Properties

Compound Namedimethylsilylidenetitanium(2+);bis(2-phenyl-1H-inden-1-ide);dichloride
PubChem CID87100881
Molecular FormulaC32H28Cl2SiTi-2
Molecular Weight559.44 g/mol
Exact Mass558.08
IUPAC Namedimethylsilylidenetitanium(2+);bis(2-phenyl-1H-inden-1-ide);dichloride
SMILESC[Si](C)=[Ti+2].[Cl-].[Cl-].c1ccc(-c2cc3ccccc3[cH-]2)cc1.c1ccc(-c2cc3ccccc3[cH-]2)cc1
InChIInChI=1S/2C15H11.C2H6Si.2ClH.Ti/c2*1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15;1-3-2;;;/h2*1-11H;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyHNIATCOCNCXNRU-UHFFFAOYSA-L
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.44
LogP ≤ 53.24
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'}

Analyze dimethylsilylidenetitanium(2+);bis(2-phenyl-1H-inden-1-ide);dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;dichloride
CID 18369835
magnesium;carbanide;2-phenyl-1H-inden-1-ide
CID 141374926
bis(2-(3,4-dimethylphenyl)-1H-inden-1-ide);dimethylsilylidenetitanium(2+);dichloride
CID 162001145
ethylidenezirconium(2+);bis(2-phenyl-1H-inden-1-ide)
CID 173282953
dimethylsilylidenetitanium(2+);bis(2,4-diphenyl-1H-inden-1-ide);dichloride
CID 158536405
2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;propan-2-ylidenezirconium(2+);dichloride
CID 18369824
bis(2-(3,5-dimethylphenyl)-1H-inden-1-ide);zirconium(4+);dichloride
CID 87971540
bis(2-(4-fluorophenyl)-1H-inden-1-ide);titanium(2+)
CID 161430637
2-[4-(trifluoromethyl)phenyl]-1H-inden-1-ide;zirconium(3+);dichloride
CID 23216291
tetrakis(2-(3,5-ditert-butylphenyl)-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 22283856
bis(2-(4-tert-butylphenyl)-1H-inden-1-ide);diethylsilylidenezirconium(2+);dichloride
CID 175882219
difluorozirconium(2+);5-ethyl-1,2,3,4-tetramethylcyclopenta-1,3-diene;2-phenyl-1H-inden-1-ide
CID 154603989

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenetitanium(2+);bis(2-phenyl-1H-inden-1-ide);dichloride?
The IUPAC name of dimethylsilylidenetitanium(2+);bis(2-phenyl-1H-inden-1-ide);dichloride (CID 87100881) is dimethylsilylidenetitanium(2+);bis(2-phenyl-1H-inden-1-ide);dichloride.
What is the SMILES notation for dimethylsilylidenetitanium(2+);bis(2-phenyl-1H-inden-1-ide);dichloride?
The canonical SMILES for dimethylsilylidenetitanium(2+);bis(2-phenyl-1H-inden-1-ide);dichloride is C[Si](C)=[Ti+2].[Cl-].[Cl-].c1ccc(-c2cc3ccccc3[cH-]2)cc1.c1ccc(-c2cc3ccccc3[cH-]2)cc1.
What is the InChIKey of dimethylsilylidenetitanium(2+);bis(2-phenyl-1H-inden-1-ide);dichloride?
The InChIKey is HNIATCOCNCXNRU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H11.C2H6Si.2ClH.Ti/c2*1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15;1-3-2;;;/h2*1-11H;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenetitanium(2+);bis(2-phenyl-1H-inden-1-ide);dichloride?
dimethylsilylidenetitanium(2+);bis(2-phenyl-1H-inden-1-ide);dichloride has a molecular weight of 559.44 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenetitanium(2+);bis(2-phenyl-1H-inden-1-ide);dichloride is sourced from PubChem (CID 87100881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).