tert-butylazanide;carbanide;9H-fluoren-9-ide;methylidenezirconium;trimethyl(propoxy)silane;dihydrochloride

C25H41Cl2NOSiZr-4 — CID 87935807

IUPACtert-butylazanide;carbanide;9H-fluoren-9-ide;methylidenezirconium;trimethyl(propoxy)silane;dihydrochloride
SMILESC=[Zr].CC(C)(C)[NH-].Cl.Cl.[CH2-]CCO[Si](C)(C)C.[CH3-].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C6H15OSi.C4H10N.CH3.CH2.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-5-6-7-8(2,3)4;1-4(2,3)5;;;;;/h1-9H;1,5-6H2,2-4H3;5H,1-3H3;1H3;1H2;2*1H;/q4*-1;;;;
InChIKeyATYXWSHCAKIZAU-UHFFFAOYSA-N
MW561.83 g/mol
LogP8.87
Rot. Bonds3

About tert-butylazanide;carbanide;9H-fluoren-9-ide;methylidenezirconium;trimethyl(propoxy)silane;dihydrochloride

tert-butylazanide;carbanide;9H-fluoren-9-ide;methylidenezirconium;trimethyl(propoxy)silane;dihydrochloride (PubChem CID 87935807) has the molecular formula C25H41Cl2NOSiZr-4 and a molecular weight of 561.83 g/mol. Its IUPAC name is tert-butylazanide;carbanide;9H-fluoren-9-ide;methylidenezirconium;trimethyl(propoxy)silane;dihydrochloride.

Molecular Properties

Compound Nametert-butylazanide;carbanide;9H-fluoren-9-ide;methylidenezirconium;trimethyl(propoxy)silane;dihydrochloride
PubChem CID87935807
Molecular FormulaC25H41Cl2NOSiZr-4
Molecular Weight561.83 g/mol
Exact Mass559.14
IUPAC Nametert-butylazanide;carbanide;9H-fluoren-9-ide;methylidenezirconium;trimethyl(propoxy)silane;dihydrochloride
SMILESC=[Zr].CC(C)(C)[NH-].Cl.Cl.[CH2-]CCO[Si](C)(C)C.[CH3-].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C6H15OSi.C4H10N.CH3.CH2.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-5-6-7-8(2,3)4;1-4(2,3)5;;;;;/h1-9H;1,5-6H2,2-4H3;5H,1-3H3;1H3;1H2;2*1H;/q4*-1;;;;
InChIKeyATYXWSHCAKIZAU-UHFFFAOYSA-N
XLogP8.87
TPSA33.03 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.83
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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;carbanide;9H-fluoren-9-ide;methylidenezirconium;trimethyl(propoxy)silane;dihydrochloride?
The IUPAC name of tert-butylazanide;carbanide;9H-fluoren-9-ide;methylidenezirconium;trimethyl(propoxy)silane;dihydrochloride (CID 87935807) is tert-butylazanide;carbanide;9H-fluoren-9-ide;methylidenezirconium;trimethyl(propoxy)silane;dihydrochloride.
What is the SMILES notation for tert-butylazanide;carbanide;9H-fluoren-9-ide;methylidenezirconium;trimethyl(propoxy)silane;dihydrochloride?
The canonical SMILES for tert-butylazanide;carbanide;9H-fluoren-9-ide;methylidenezirconium;trimethyl(propoxy)silane;dihydrochloride is C=[Zr].CC(C)(C)[NH-].Cl.Cl.[CH2-]CCO[Si](C)(C)C.[CH3-].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of tert-butylazanide;carbanide;9H-fluoren-9-ide;methylidenezirconium;trimethyl(propoxy)silane;dihydrochloride?
The InChIKey is ATYXWSHCAKIZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.C6H15OSi.C4H10N.CH3.CH2.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-5-6-7-8(2,3)4;1-4(2,3)5;;;;;/h1-9H;1,5-6H2,2-4H3;5H,1-3H3;1H3;1H2;2*1H;/q4*-1;;;;.
What are the key properties of tert-butylazanide;carbanide;9H-fluoren-9-ide;methylidenezirconium;trimethyl(propoxy)silane;dihydrochloride?
tert-butylazanide;carbanide;9H-fluoren-9-ide;methylidenezirconium;trimethyl(propoxy)silane;dihydrochloride has a molecular weight of 561.83 g/mol, XLogP of 8.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylazanide;carbanide;9H-fluoren-9-ide;methylidenezirconium;trimethyl(propoxy)silane;dihydrochloride is sourced from PubChem (CID 87935807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).