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

C34H32Cl2SiTi-2 — CID 158143792

IUPACdiphenylsilylidenetitanium(2+);bis(2-ethyl-1H-inden-1-ide);dichloride
SMILESCCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Ti+2]=[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10Si.2C11H11.2ClH.Ti/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-9-7-10-5-3-4-6-11(10)8-9;;;/h1-10H;2*3-8H,2H2,1H3;2*1H;/q;2*-1;;;+2/p-2
InChIKeyGQSPLWJIFCCONJ-UHFFFAOYSA-L
MW587.49 g/mol
LogP1.59
Rot. Bonds4

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

diphenylsilylidenetitanium(2+);bis(2-ethyl-1H-inden-1-ide);dichloride (PubChem CID 158143792) has the molecular formula C34H32Cl2SiTi-2 and a molecular weight of 587.49 g/mol. Its IUPAC name is diphenylsilylidenetitanium(2+);bis(2-ethyl-1H-inden-1-ide);dichloride.

Molecular Properties

Compound Namediphenylsilylidenetitanium(2+);bis(2-ethyl-1H-inden-1-ide);dichloride
PubChem CID158143792
Molecular FormulaC34H32Cl2SiTi-2
Molecular Weight587.49 g/mol
Exact Mass586.11
IUPAC Namediphenylsilylidenetitanium(2+);bis(2-ethyl-1H-inden-1-ide);dichloride
SMILESCCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Ti+2]=[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10Si.2C11H11.2ClH.Ti/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-9-7-10-5-3-4-6-11(10)8-9;;;/h1-10H;2*3-8H,2H2,1H3;2*1H;/q;2*-1;;;+2/p-2
InChIKeyGQSPLWJIFCCONJ-UHFFFAOYSA-L
XLogP1.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.49
LogP ≤ 51.59
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 173161362
CID 173161362
chromium(3+);2-ethyl-1H-inden-1-ide;dichloride
CID 160866038
bis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride
CID 174370815
diphenylsilylidenetitanium(2+);bis(2-methyl-1H-inden-1-ide);dichloride
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CID 172728352
CID 172728352
CID 172721451
CID 172721451
CID 173162612
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carbanide;bis(2-ethyl-1H-inden-1-ide);propane;zirconium(3+);zirconium(4+)
CID 173263826
2-ethyl-1H-inden-1-ide;1H-inden-1-ide;zirconium(4+);dichloride
CID 18369854
CID 174221085
CID 174221085
dimethylsilylidenetitanium(2+);2-ethyl-1H-inden-1-ide;2-methyl-4-phenyl-1H-inden-1-ide;dichloride
CID 87865717
ethane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);phenylmethylidenesilane
CID 151250584

Frequently Asked Questions

What is the IUPAC name of diphenylsilylidenetitanium(2+);bis(2-ethyl-1H-inden-1-ide);dichloride?
The IUPAC name of diphenylsilylidenetitanium(2+);bis(2-ethyl-1H-inden-1-ide);dichloride (CID 158143792) is diphenylsilylidenetitanium(2+);bis(2-ethyl-1H-inden-1-ide);dichloride.
What is the SMILES notation for diphenylsilylidenetitanium(2+);bis(2-ethyl-1H-inden-1-ide);dichloride?
The canonical SMILES for diphenylsilylidenetitanium(2+);bis(2-ethyl-1H-inden-1-ide);dichloride is CCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Ti+2]=[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylsilylidenetitanium(2+);bis(2-ethyl-1H-inden-1-ide);dichloride?
The InChIKey is GQSPLWJIFCCONJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H10Si.2C11H11.2ClH.Ti/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-9-7-10-5-3-4-6-11(10)8-9;;;/h1-10H;2*3-8H,2H2,1H3;2*1H;/q;2*-1;;;+2/p-2.
What are the key properties of diphenylsilylidenetitanium(2+);bis(2-ethyl-1H-inden-1-ide);dichloride?
diphenylsilylidenetitanium(2+);bis(2-ethyl-1H-inden-1-ide);dichloride has a molecular weight of 587.49 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylsilylidenetitanium(2+);bis(2-ethyl-1H-inden-1-ide);dichloride is sourced from PubChem (CID 158143792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).