tert-butylazanide;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride

C19H25Cl2NSiTi-2 — CID 87329167

IUPACtert-butylazanide;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride
SMILESCC(C)(C)[NH-].C[Si](C)=[Ti+2].[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C4H10N.C2H6Si.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-4(2,3)5;1-3-2;;;/h1-9H;5H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyKWVIRERXXFVWMO-UHFFFAOYSA-L
MW414.28 g/mol
LogP0.34
Rot. Bonds

About tert-butylazanide;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride

tert-butylazanide;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride (PubChem CID 87329167) has the molecular formula C19H25Cl2NSiTi-2 and a molecular weight of 414.28 g/mol. Its IUPAC name is tert-butylazanide;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride.

Molecular Properties

Compound Nametert-butylazanide;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride
PubChem CID87329167
Molecular FormulaC19H25Cl2NSiTi-2
Molecular Weight414.28 g/mol
Exact Mass413.06
IUPAC Nametert-butylazanide;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride
SMILESCC(C)(C)[NH-].C[Si](C)=[Ti+2].[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C4H10N.C2H6Si.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-4(2,3)5;1-3-2;;;/h1-9H;5H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyKWVIRERXXFVWMO-UHFFFAOYSA-L
XLogP0.34
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.28
LogP ≤ 50.34
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 tert-butylazanide;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride?
The IUPAC name of tert-butylazanide;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride (CID 87329167) is tert-butylazanide;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride.
What is the SMILES notation for tert-butylazanide;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride?
The canonical SMILES for tert-butylazanide;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride is CC(C)(C)[NH-].C[Si](C)=[Ti+2].[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of tert-butylazanide;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride?
The InChIKey is KWVIRERXXFVWMO-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C4H10N.C2H6Si.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-4(2,3)5;1-3-2;;;/h1-9H;5H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of tert-butylazanide;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride?
tert-butylazanide;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride has a molecular weight of 414.28 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylazanide;dimethylsilylidenetitanium(2+);9H-fluoren-9-ide;dichloride is sourced from PubChem (CID 87329167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).