diphenylsilylidenetitanium(2+);bis(2-methyl-1H-inden-1-ide);dichloride

C32H28Cl2SiTi-2 — CID 87675549

IUPACdiphenylsilylidenetitanium(2+);bis(2-methyl-1H-inden-1-ide);dichloride
SMILESCc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Ti+2]=[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10Si.2C10H9.2ClH.Ti/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-8-6-9-4-2-3-5-10(9)7-8;;;/h1-10H;2*2-7H,1H3;2*1H;/q;2*-1;;;+2/p-2
InChIKeyGLZSPZSCDVRZRO-UHFFFAOYSA-L
MW559.44 g/mol
LogP1.08
Rot. Bonds2

About diphenylsilylidenetitanium(2+);bis(2-methyl-1H-inden-1-ide);dichloride

diphenylsilylidenetitanium(2+);bis(2-methyl-1H-inden-1-ide);dichloride (PubChem CID 87675549) has the molecular formula C32H28Cl2SiTi-2 and a molecular weight of 559.44 g/mol. Its IUPAC name is diphenylsilylidenetitanium(2+);bis(2-methyl-1H-inden-1-ide);dichloride.

Molecular Properties

Compound Namediphenylsilylidenetitanium(2+);bis(2-methyl-1H-inden-1-ide);dichloride
PubChem CID87675549
Molecular FormulaC32H28Cl2SiTi-2
Molecular Weight559.44 g/mol
Exact Mass558.08
IUPAC Namediphenylsilylidenetitanium(2+);bis(2-methyl-1H-inden-1-ide);dichloride
SMILESCc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Ti+2]=[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10Si.2C10H9.2ClH.Ti/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-8-6-9-4-2-3-5-10(9)7-8;;;/h1-10H;2*2-7H,1H3;2*1H;/q;2*-1;;;+2/p-2
InChIKeyGLZSPZSCDVRZRO-UHFFFAOYSA-L
XLogP1.08
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 ≤ 51.08
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

CID 157447863
CID 157447863
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CID 87864757
chromium(2+);bis(2-methyl-1H-inden-1-ide)
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2-methyl-1H-inden-1-ide;praseodymium
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meso-Dimethylsilyl-bis-(2-methylindenyl)zirconium dichloride
CID 132989110
dichloro-[methyl(phenyl)silylidene]zirconium;2-methyl-1H-inden-1-ide
CID 173179166
carbanide;dimethylsilylidenetitanium;bis(2-methyl-1H-inden-1-ide)
CID 173290342
bis(2-methyl-1H-inden-1-ide);[methyl(trimethylsilyl)silylidene]zirconium(2+);dichloride
CID 161478102
dimethylsilylidenezirconium(2+);2-methyl-1H-inden-1-ide;2-phenyl-1H-inden-1-ide;dichloride
CID 18369835

Frequently Asked Questions

What is the IUPAC name of diphenylsilylidenetitanium(2+);bis(2-methyl-1H-inden-1-ide);dichloride?
The IUPAC name of diphenylsilylidenetitanium(2+);bis(2-methyl-1H-inden-1-ide);dichloride (CID 87675549) is diphenylsilylidenetitanium(2+);bis(2-methyl-1H-inden-1-ide);dichloride.
What is the SMILES notation for diphenylsilylidenetitanium(2+);bis(2-methyl-1H-inden-1-ide);dichloride?
The canonical SMILES for diphenylsilylidenetitanium(2+);bis(2-methyl-1H-inden-1-ide);dichloride is Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Ti+2]=[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylsilylidenetitanium(2+);bis(2-methyl-1H-inden-1-ide);dichloride?
The InChIKey is GLZSPZSCDVRZRO-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H10Si.2C10H9.2ClH.Ti/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-8-6-9-4-2-3-5-10(9)7-8;;;/h1-10H;2*2-7H,1H3;2*1H;/q;2*-1;;;+2/p-2.
What are the key properties of diphenylsilylidenetitanium(2+);bis(2-methyl-1H-inden-1-ide);dichloride?
diphenylsilylidenetitanium(2+);bis(2-methyl-1H-inden-1-ide);dichloride has a molecular weight of 559.44 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylsilylidenetitanium(2+);bis(2-methyl-1H-inden-1-ide);dichloride is sourced from PubChem (CID 87675549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).