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

C24H39Cl2NOSiZr-4 — CID 87935913

IUPACtert-butylazanide;carbanide;ethoxy(trimethyl)silane;9H-fluoren-9-ide;methylidenezirconium;dihydrochloride
SMILESC=[Zr].CC(C)(C)[NH-].Cl.Cl.[CH2-]CO[Si](C)(C)C.[CH3-].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C5H13OSi.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(2,3)4;1-4(2,3)5;;;;;/h1-9H;1,5H2,2-4H3;5H,1-3H3;1H3;1H2;2*1H;/q4*-1;;;;
InChIKeyBQGRMCGBPKCPJY-UHFFFAOYSA-N
MW547.80 g/mol
LogP8.48
Rot. Bonds2

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

tert-butylazanide;carbanide;ethoxy(trimethyl)silane;9H-fluoren-9-ide;methylidenezirconium;dihydrochloride (PubChem CID 87935913) has the molecular formula C24H39Cl2NOSiZr-4 and a molecular weight of 547.80 g/mol. Its IUPAC name is tert-butylazanide;carbanide;ethoxy(trimethyl)silane;9H-fluoren-9-ide;methylidenezirconium;dihydrochloride.

Molecular Properties

Compound Nametert-butylazanide;carbanide;ethoxy(trimethyl)silane;9H-fluoren-9-ide;methylidenezirconium;dihydrochloride
PubChem CID87935913
Molecular FormulaC24H39Cl2NOSiZr-4
Molecular Weight547.80 g/mol
Exact Mass545.12
IUPAC Nametert-butylazanide;carbanide;ethoxy(trimethyl)silane;9H-fluoren-9-ide;methylidenezirconium;dihydrochloride
SMILESC=[Zr].CC(C)(C)[NH-].Cl.Cl.[CH2-]CO[Si](C)(C)C.[CH3-].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C5H13OSi.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(2,3)4;1-4(2,3)5;;;;;/h1-9H;1,5H2,2-4H3;5H,1-3H3;1H3;1H2;2*1H;/q4*-1;;;;
InChIKeyBQGRMCGBPKCPJY-UHFFFAOYSA-N
XLogP8.48
TPSA33.03 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.80
LogP ≤ 58.48
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'}

Analyze tert-butylazanide;carbanide;ethoxy(trimethyl)silane;9H-fluoren-9-ide;methylidenezirconium;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butylazanide;carbanide;ethoxy(trimethyl)silane;9H-fluoren-9-ide;methylidenezirconium;dihydrochloride?
The IUPAC name of tert-butylazanide;carbanide;ethoxy(trimethyl)silane;9H-fluoren-9-ide;methylidenezirconium;dihydrochloride (CID 87935913) is tert-butylazanide;carbanide;ethoxy(trimethyl)silane;9H-fluoren-9-ide;methylidenezirconium;dihydrochloride.
What is the SMILES notation for tert-butylazanide;carbanide;ethoxy(trimethyl)silane;9H-fluoren-9-ide;methylidenezirconium;dihydrochloride?
The canonical SMILES for tert-butylazanide;carbanide;ethoxy(trimethyl)silane;9H-fluoren-9-ide;methylidenezirconium;dihydrochloride is C=[Zr].CC(C)(C)[NH-].Cl.Cl.[CH2-]CO[Si](C)(C)C.[CH3-].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of tert-butylazanide;carbanide;ethoxy(trimethyl)silane;9H-fluoren-9-ide;methylidenezirconium;dihydrochloride?
The InChIKey is BQGRMCGBPKCPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.C5H13OSi.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(2,3)4;1-4(2,3)5;;;;;/h1-9H;1,5H2,2-4H3;5H,1-3H3;1H3;1H2;2*1H;/q4*-1;;;;.
What are the key properties of tert-butylazanide;carbanide;ethoxy(trimethyl)silane;9H-fluoren-9-ide;methylidenezirconium;dihydrochloride?
tert-butylazanide;carbanide;ethoxy(trimethyl)silane;9H-fluoren-9-ide;methylidenezirconium;dihydrochloride has a molecular weight of 547.80 g/mol, XLogP of 8.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylazanide;carbanide;ethoxy(trimethyl)silane;9H-fluoren-9-ide;methylidenezirconium;dihydrochloride is sourced from PubChem (CID 87935913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).