tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]titanium(2+));dichloride

C50H44Cl2Si2Ti2-2 — CID 22599312

IUPACtetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]titanium(2+));dichloride
SMILESC[Si](=[Ti+2])c1ccccc1.C[Si](=[Ti+2])c1ccccc1.[Cl-].[Cl-].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/4C9H7.2C7H8Si.2ClH.2Ti/c4*1-2-5-9-7-3-6-8(9)4-1;2*1-8-7-5-3-2-4-6-7;;;;/h4*1-7H;2*2-6H,1H3;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyBQKQKXPEVQAWOR-UHFFFAOYSA-L
MW867.71 g/mol
LogP6.37
Rot. Bonds2

About tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]titanium(2+));dichloride

tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]titanium(2+));dichloride (PubChem CID 22599312) has the molecular formula C50H44Cl2Si2Ti2-2 and a molecular weight of 867.71 g/mol. Its IUPAC name is tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]titanium(2+));dichloride.

Molecular Properties

Compound Nametetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]titanium(2+));dichloride
PubChem CID22599312
Molecular FormulaC50H44Cl2Si2Ti2-2
Molecular Weight867.71 g/mol
Exact Mass866.13
IUPAC Nametetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]titanium(2+));dichloride
SMILESC[Si](=[Ti+2])c1ccccc1.C[Si](=[Ti+2])c1ccccc1.[Cl-].[Cl-].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/4C9H7.2C7H8Si.2ClH.2Ti/c4*1-2-5-9-7-3-6-8(9)4-1;2*1-8-7-5-3-2-4-6-7;;;;/h4*1-7H;2*2-6H,1H3;2*1H;;/q4*-1;;;;;2*+2/p-2
InChIKeyBQKQKXPEVQAWOR-UHFFFAOYSA-L
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.71
LogP ≤ 56.37
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

bis(1H-inden-1-ide);[methyl(phenyl)silylidene]titanium(2+)
CID 159293471
bis(1H-inden-1-ide);[methyl(phenyl)silylidene]zirconium(2+)
CID 23514276
bis(dimethylsilylidenehafnium(2+));tetrakis(1H-inden-1-ide);dichloride
CID 22347931
tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]hafnium(2+));dihydrochloride
CID 173134139
carbanide;dimethylsilylidenetitanium;bis(1H-inden-1-ide)
CID 173073512
dimethylsilylidenethorium(2+);bis(1H-inden-1-ide)
CID 173292725
tetrakis(1H-inden-1-ide);bis(methylidenetitanium(2+));dichloride
CID 22327850
1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360
azanide;1H-inden-1-ide;titanium(4+);dichloride
CID 175964725
carbanide;1H-inden-1-ide;titanium(3+);trichloride
CID 157275442
dimethylsilylidenezirconium;ethane;bis(1H-inden-1-ide)
CID 173275600
dichloro(diphenylsilylidene)hafnium;bis(1H-inden-1-ide)
CID 173133889

Frequently Asked Questions

What is the IUPAC name of tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]titanium(2+));dichloride?
The IUPAC name of tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]titanium(2+));dichloride (CID 22599312) is tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]titanium(2+));dichloride.
What is the SMILES notation for tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]titanium(2+));dichloride?
The canonical SMILES for tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]titanium(2+));dichloride is C[Si](=[Ti+2])c1ccccc1.C[Si](=[Ti+2])c1ccccc1.[Cl-].[Cl-].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]titanium(2+));dichloride?
The InChIKey is BQKQKXPEVQAWOR-UHFFFAOYSA-L. The full InChI is InChI=1S/4C9H7.2C7H8Si.2ClH.2Ti/c4*1-2-5-9-7-3-6-8(9)4-1;2*1-8-7-5-3-2-4-6-7;;;;/h4*1-7H;2*2-6H,1H3;2*1H;;/q4*-1;;;;;2*+2/p-2.
What are the key properties of tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]titanium(2+));dichloride?
tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]titanium(2+));dichloride has a molecular weight of 867.71 g/mol, XLogP of 6.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]titanium(2+));dichloride is sourced from PubChem (CID 22599312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).