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

C22H26SiTi-4 — CID 173073512

IUPACcarbanide;dimethylsilylidenetitanium;bis(1H-inden-1-ide)
SMILESC[Si](C)=[Ti].[CH3-].[CH3-].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C2H6Si.2CH3.Ti/c2*1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h2*1-7H;1-2H3;2*1H3;/q2*-1;;2*-1;
InChIKeyQYTZZPRJKWLEIM-UHFFFAOYSA-N
MW366.40 g/mol
LogP6.80
Rot. Bonds

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

carbanide;dimethylsilylidenetitanium;bis(1H-inden-1-ide) (PubChem CID 173073512) has the molecular formula C22H26SiTi-4 and a molecular weight of 366.40 g/mol. Its IUPAC name is carbanide;dimethylsilylidenetitanium;bis(1H-inden-1-ide).

Molecular Properties

Compound Namecarbanide;dimethylsilylidenetitanium;bis(1H-inden-1-ide)
PubChem CID173073512
Molecular FormulaC22H26SiTi-4
Molecular Weight366.40 g/mol
Exact Mass366.13
IUPAC Namecarbanide;dimethylsilylidenetitanium;bis(1H-inden-1-ide)
SMILESC[Si](C)=[Ti].[CH3-].[CH3-].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C2H6Si.2CH3.Ti/c2*1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h2*1-7H;1-2H3;2*1H3;/q2*-1;;2*-1;
InChIKeyQYTZZPRJKWLEIM-UHFFFAOYSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.40
LogP ≤ 56.80
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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Frequently Asked Questions

What is the IUPAC name of carbanide;dimethylsilylidenetitanium;bis(1H-inden-1-ide)?
The IUPAC name of carbanide;dimethylsilylidenetitanium;bis(1H-inden-1-ide) (CID 173073512) is carbanide;dimethylsilylidenetitanium;bis(1H-inden-1-ide).
What is the SMILES notation for carbanide;dimethylsilylidenetitanium;bis(1H-inden-1-ide)?
The canonical SMILES for carbanide;dimethylsilylidenetitanium;bis(1H-inden-1-ide) is C[Si](C)=[Ti].[CH3-].[CH3-].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of carbanide;dimethylsilylidenetitanium;bis(1H-inden-1-ide)?
The InChIKey is QYTZZPRJKWLEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7.C2H6Si.2CH3.Ti/c2*1-2-5-9-7-3-6-8(9)4-1;1-3-2;;;/h2*1-7H;1-2H3;2*1H3;/q2*-1;;2*-1;.
What are the key properties of carbanide;dimethylsilylidenetitanium;bis(1H-inden-1-ide)?
carbanide;dimethylsilylidenetitanium;bis(1H-inden-1-ide) has a molecular weight of 366.40 g/mol, XLogP of 6.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dimethylsilylidenetitanium;bis(1H-inden-1-ide) is sourced from PubChem (CID 173073512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).