bis(2-(3,4-dimethylphenyl)-1H-inden-1-ide);dimethylsilylidenetitanium(2+);dichloride

C36H36Cl2SiTi-2 — CID 162001145

IUPACbis(2-(3,4-dimethylphenyl)-1H-inden-1-ide);dimethylsilylidenetitanium(2+);dichloride
SMILESC[Si](C)=[Ti+2].Cc1ccc(-c2cc3ccccc3[cH-]2)cc1C.Cc1ccc(-c2cc3ccccc3[cH-]2)cc1C.[Cl-].[Cl-]
InChIInChI=1S/2C17H15.C2H6Si.2ClH.Ti/c2*1-12-7-8-16(9-13(12)2)17-10-14-5-3-4-6-15(14)11-17;1-3-2;;;/h2*3-11H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyQLWQLMNXZIUSRR-UHFFFAOYSA-L
MW615.54 g/mol
LogP4.48
Rot. Bonds2

About bis(2-(3,4-dimethylphenyl)-1H-inden-1-ide);dimethylsilylidenetitanium(2+);dichloride

bis(2-(3,4-dimethylphenyl)-1H-inden-1-ide);dimethylsilylidenetitanium(2+);dichloride (PubChem CID 162001145) has the molecular formula C36H36Cl2SiTi-2 and a molecular weight of 615.54 g/mol. Its IUPAC name is bis(2-(3,4-dimethylphenyl)-1H-inden-1-ide);dimethylsilylidenetitanium(2+);dichloride.

Molecular Properties

Compound Namebis(2-(3,4-dimethylphenyl)-1H-inden-1-ide);dimethylsilylidenetitanium(2+);dichloride
PubChem CID162001145
Molecular FormulaC36H36Cl2SiTi-2
Molecular Weight615.54 g/mol
Exact Mass614.15
IUPAC Namebis(2-(3,4-dimethylphenyl)-1H-inden-1-ide);dimethylsilylidenetitanium(2+);dichloride
SMILESC[Si](C)=[Ti+2].Cc1ccc(-c2cc3ccccc3[cH-]2)cc1C.Cc1ccc(-c2cc3ccccc3[cH-]2)cc1C.[Cl-].[Cl-]
InChIInChI=1S/2C17H15.C2H6Si.2ClH.Ti/c2*1-12-7-8-16(9-13(12)2)17-10-14-5-3-4-6-15(14)11-17;1-3-2;;;/h2*3-11H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyQLWQLMNXZIUSRR-UHFFFAOYSA-L
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500615.54
LogP ≤ 54.48
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

dimethylsilylidenetitanium(2+);bis(2-phenyl-1H-inden-1-ide);dichloride
CID 87100881
dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;dichloride
CID 18369835
bis(2-(3,5-dimethylphenyl)-1H-inden-1-ide);zirconium(4+);dichloride
CID 87971540
magnesium;carbanide;2-phenyl-1H-inden-1-ide
CID 141374926
tetrakis(2-(3,5-ditert-butylphenyl)-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 22283856
diphenylsilylidenetitanium(2+);bis(2-methyl-1H-inden-1-ide);dichloride
CID 87675549
bis(2-(4-tert-butylphenyl)-1H-inden-1-ide);diethylsilylidenezirconium(2+);dichloride
CID 175882219
ethylidenezirconium(2+);bis(2-phenyl-1H-inden-1-ide)
CID 173282953
2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;propan-2-ylidenezirconium(2+);dichloride
CID 18369824
CID 157447863
CID 157447863
bis(2-bromo-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 160887179
dimethylsilylidenetitanium(2+);bis(2,4-diphenyl-1H-inden-1-ide);dichloride
CID 158536405

Frequently Asked Questions

What is the IUPAC name of bis(2-(3,4-dimethylphenyl)-1H-inden-1-ide);dimethylsilylidenetitanium(2+);dichloride?
The IUPAC name of bis(2-(3,4-dimethylphenyl)-1H-inden-1-ide);dimethylsilylidenetitanium(2+);dichloride (CID 162001145) is bis(2-(3,4-dimethylphenyl)-1H-inden-1-ide);dimethylsilylidenetitanium(2+);dichloride.
What is the SMILES notation for bis(2-(3,4-dimethylphenyl)-1H-inden-1-ide);dimethylsilylidenetitanium(2+);dichloride?
The canonical SMILES for bis(2-(3,4-dimethylphenyl)-1H-inden-1-ide);dimethylsilylidenetitanium(2+);dichloride is C[Si](C)=[Ti+2].Cc1ccc(-c2cc3ccccc3[cH-]2)cc1C.Cc1ccc(-c2cc3ccccc3[cH-]2)cc1C.[Cl-].[Cl-].
What is the InChIKey of bis(2-(3,4-dimethylphenyl)-1H-inden-1-ide);dimethylsilylidenetitanium(2+);dichloride?
The InChIKey is QLWQLMNXZIUSRR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H15.C2H6Si.2ClH.Ti/c2*1-12-7-8-16(9-13(12)2)17-10-14-5-3-4-6-15(14)11-17;1-3-2;;;/h2*3-11H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of bis(2-(3,4-dimethylphenyl)-1H-inden-1-ide);dimethylsilylidenetitanium(2+);dichloride?
bis(2-(3,4-dimethylphenyl)-1H-inden-1-ide);dimethylsilylidenetitanium(2+);dichloride has a molecular weight of 615.54 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(3,4-dimethylphenyl)-1H-inden-1-ide);dimethylsilylidenetitanium(2+);dichloride is sourced from PubChem (CID 162001145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).