dimethylsilylidenetitanium(2+);bis(2,4-diphenyl-1H-inden-1-ide);dichloride

C44H36Cl2SiTi-2 — CID 158536405

IUPACdimethylsilylidenetitanium(2+);bis(2,4-diphenyl-1H-inden-1-ide);dichloride
SMILESC[Si](C)=[Ti+2].[Cl-].[Cl-].c1ccc(-c2cc3c(-c4ccccc4)cccc3[cH-]2)cc1.c1ccc(-c2cc3c(-c4ccccc4)cccc3[cH-]2)cc1
InChIInChI=1S/2C21H15.C2H6Si.2ClH.Ti/c2*1-3-8-16(9-4-1)19-14-18-12-7-13-20(21(18)15-19)17-10-5-2-6-11-17;1-3-2;;;/h2*1-15H;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyOERCNQBDDBQWCP-UHFFFAOYSA-L
MW711.63 g/mol
LogP6.58
Rot. Bonds4

About dimethylsilylidenetitanium(2+);bis(2,4-diphenyl-1H-inden-1-ide);dichloride

dimethylsilylidenetitanium(2+);bis(2,4-diphenyl-1H-inden-1-ide);dichloride (PubChem CID 158536405) has the molecular formula C44H36Cl2SiTi-2 and a molecular weight of 711.63 g/mol. Its IUPAC name is dimethylsilylidenetitanium(2+);bis(2,4-diphenyl-1H-inden-1-ide);dichloride.

Molecular Properties

Compound Namedimethylsilylidenetitanium(2+);bis(2,4-diphenyl-1H-inden-1-ide);dichloride
PubChem CID158536405
Molecular FormulaC44H36Cl2SiTi-2
Molecular Weight711.63 g/mol
Exact Mass710.15
IUPAC Namedimethylsilylidenetitanium(2+);bis(2,4-diphenyl-1H-inden-1-ide);dichloride
SMILESC[Si](C)=[Ti+2].[Cl-].[Cl-].c1ccc(-c2cc3c(-c4ccccc4)cccc3[cH-]2)cc1.c1ccc(-c2cc3c(-c4ccccc4)cccc3[cH-]2)cc1
InChIInChI=1S/2C21H15.C2H6Si.2ClH.Ti/c2*1-3-8-16(9-4-1)19-14-18-12-7-13-20(21(18)15-19)17-10-5-2-6-11-17;1-3-2;;;/h2*1-15H;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyOERCNQBDDBQWCP-UHFFFAOYSA-L
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.63
LogP ≤ 56.58
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(2,4-diphenyl-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

bis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride
CID 22602504
bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 22251028
CID 87398743
CID 87398743
dimethylsilylidenezirconium(2+);bis(trimethyl-(4-phenyl-1H-inden-1-id-2-yl)silane);dichloride
CID 161496746
dimethylsilylidenezirconium(2+);bis(2-(4-phenyl-1H-inden-1-id-2-yl)thiophene);dichloride
CID 172832484
dimethylsilylidenetitanium(2+);bis(2-phenyl-1H-inden-1-ide);dichloride
CID 87100881
dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
CID 173142029
dichloro(dimethylsilylidene)zirconium;2,4-diphenyl-1H-inden-1-ide;1H-inden-1-ide
CID 173268351
dimethylsilylidenezirconium(2+);bis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18433941
bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18008267
tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride
CID 22335809
bis(2-phenyl-5-(4-phenyl-1H-inden-1-id-2-yl)furan);zirconium(4+);dichloride
CID 18420842

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenetitanium(2+);bis(2,4-diphenyl-1H-inden-1-ide);dichloride?
The IUPAC name of dimethylsilylidenetitanium(2+);bis(2,4-diphenyl-1H-inden-1-ide);dichloride (CID 158536405) is dimethylsilylidenetitanium(2+);bis(2,4-diphenyl-1H-inden-1-ide);dichloride.
What is the SMILES notation for dimethylsilylidenetitanium(2+);bis(2,4-diphenyl-1H-inden-1-ide);dichloride?
The canonical SMILES for dimethylsilylidenetitanium(2+);bis(2,4-diphenyl-1H-inden-1-ide);dichloride is C[Si](C)=[Ti+2].[Cl-].[Cl-].c1ccc(-c2cc3c(-c4ccccc4)cccc3[cH-]2)cc1.c1ccc(-c2cc3c(-c4ccccc4)cccc3[cH-]2)cc1.
What is the InChIKey of dimethylsilylidenetitanium(2+);bis(2,4-diphenyl-1H-inden-1-ide);dichloride?
The InChIKey is OERCNQBDDBQWCP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C21H15.C2H6Si.2ClH.Ti/c2*1-3-8-16(9-4-1)19-14-18-12-7-13-20(21(18)15-19)17-10-5-2-6-11-17;1-3-2;;;/h2*1-15H;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenetitanium(2+);bis(2,4-diphenyl-1H-inden-1-ide);dichloride?
dimethylsilylidenetitanium(2+);bis(2,4-diphenyl-1H-inden-1-ide);dichloride has a molecular weight of 711.63 g/mol, XLogP of 6.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenetitanium(2+);bis(2,4-diphenyl-1H-inden-1-ide);dichloride is sourced from PubChem (CID 158536405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).