carbanide;dimethylsilylidenetitanium;bis(2-methyl-1H-inden-1-ide)

C24H30SiTi-4 — CID 173290342

IUPACcarbanide;dimethylsilylidenetitanium;bis(2-methyl-1H-inden-1-ide)
SMILESC[Si](C)=[Ti].Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[CH3-].[CH3-]
InChIInChI=1S/2C10H9.C2H6Si.2CH3.Ti/c2*1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;;;/h2*2-7H,1H3;1-2H3;2*1H3;/q2*-1;;2*-1;
InChIKeyNYCGYOODZBIQRU-UHFFFAOYSA-N
MW394.46 g/mol
LogP7.42
Rot. Bonds

About carbanide;dimethylsilylidenetitanium;bis(2-methyl-1H-inden-1-ide)

carbanide;dimethylsilylidenetitanium;bis(2-methyl-1H-inden-1-ide) (PubChem CID 173290342) has the molecular formula C24H30SiTi-4 and a molecular weight of 394.46 g/mol. Its IUPAC name is carbanide;dimethylsilylidenetitanium;bis(2-methyl-1H-inden-1-ide).

Molecular Properties

Compound Namecarbanide;dimethylsilylidenetitanium;bis(2-methyl-1H-inden-1-ide)
PubChem CID173290342
Molecular FormulaC24H30SiTi-4
Molecular Weight394.46 g/mol
Exact Mass394.16
IUPAC Namecarbanide;dimethylsilylidenetitanium;bis(2-methyl-1H-inden-1-ide)
SMILESC[Si](C)=[Ti].Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[CH3-].[CH3-]
InChIInChI=1S/2C10H9.C2H6Si.2CH3.Ti/c2*1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;;;/h2*2-7H,1H3;1-2H3;2*1H3;/q2*-1;;2*-1;
InChIKeyNYCGYOODZBIQRU-UHFFFAOYSA-N
XLogP7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.46
LogP ≤ 57.42
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

chromium(2+);bis(2-methyl-1H-inden-1-ide)
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CID 157447863
dichloro(dimethylsilylidene)hafnium;bis(2-methyl-1H-inden-1-ide)
CID 173126666
carbanide;hafnium;hafnium(4+);bis(2-methyl-1H-inden-1-ide);propane
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ethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride
CID 157150414
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CID 87865428
bis(2-methyl-1H-inden-1-ide);[methyl(trimethylsilyl)silylidene]zirconium(2+);dichloride
CID 161478102
meso-Dimethylsilyl-bis-(2-methylindenyl)zirconium dichloride
CID 132989110
CID 159549239
CID 159549239
CID 87107737
CID 87107737

Frequently Asked Questions

What is the IUPAC name of carbanide;dimethylsilylidenetitanium;bis(2-methyl-1H-inden-1-ide)?
The IUPAC name of carbanide;dimethylsilylidenetitanium;bis(2-methyl-1H-inden-1-ide) (CID 173290342) is carbanide;dimethylsilylidenetitanium;bis(2-methyl-1H-inden-1-ide).
What is the SMILES notation for carbanide;dimethylsilylidenetitanium;bis(2-methyl-1H-inden-1-ide)?
The canonical SMILES for carbanide;dimethylsilylidenetitanium;bis(2-methyl-1H-inden-1-ide) is C[Si](C)=[Ti].Cc1cc2ccccc2[cH-]1.Cc1cc2ccccc2[cH-]1.[CH3-].[CH3-].
What is the InChIKey of carbanide;dimethylsilylidenetitanium;bis(2-methyl-1H-inden-1-ide)?
The InChIKey is NYCGYOODZBIQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9.C2H6Si.2CH3.Ti/c2*1-8-6-9-4-2-3-5-10(9)7-8;1-3-2;;;/h2*2-7H,1H3;1-2H3;2*1H3;/q2*-1;;2*-1;.
What are the key properties of carbanide;dimethylsilylidenetitanium;bis(2-methyl-1H-inden-1-ide)?
carbanide;dimethylsilylidenetitanium;bis(2-methyl-1H-inden-1-ide) has a molecular weight of 394.46 g/mol, XLogP of 7.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dimethylsilylidenetitanium;bis(2-methyl-1H-inden-1-ide) is sourced from PubChem (CID 173290342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).