tert-butylazanide;carbanide;dichloro(methylidene)zirconium;9H-fluoren-9-ide;trimethyl(propoxy)silane

C25H39Cl2NOSiZr-4 — CID 87935803

IUPACtert-butylazanide;carbanide;dichloro(methylidene)zirconium;9H-fluoren-9-ide;trimethyl(propoxy)silane
SMILESC=[Zr](Cl)Cl.CC(C)(C)[NH-].[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;;;;+2/p-2
InChIKeyPIKAYEXTKYDNIJ-UHFFFAOYSA-L
MW559.81 g/mol
LogP9.41
Rot. Bonds3

About tert-butylazanide;carbanide;dichloro(methylidene)zirconium;9H-fluoren-9-ide;trimethyl(propoxy)silane

tert-butylazanide;carbanide;dichloro(methylidene)zirconium;9H-fluoren-9-ide;trimethyl(propoxy)silane (PubChem CID 87935803) has the molecular formula C25H39Cl2NOSiZr-4 and a molecular weight of 559.81 g/mol. Its IUPAC name is tert-butylazanide;carbanide;dichloro(methylidene)zirconium;9H-fluoren-9-ide;trimethyl(propoxy)silane.

Molecular Properties

Compound Nametert-butylazanide;carbanide;dichloro(methylidene)zirconium;9H-fluoren-9-ide;trimethyl(propoxy)silane
PubChem CID87935803
Molecular FormulaC25H39Cl2NOSiZr-4
Molecular Weight559.81 g/mol
Exact Mass557.12
IUPAC Nametert-butylazanide;carbanide;dichloro(methylidene)zirconium;9H-fluoren-9-ide;trimethyl(propoxy)silane
SMILESC=[Zr](Cl)Cl.CC(C)(C)[NH-].[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;;;;+2/p-2
InChIKeyPIKAYEXTKYDNIJ-UHFFFAOYSA-L
XLogP9.41
TPSA33.03 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.81
LogP ≤ 59.41
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;dichloro(methylidene)zirconium;9H-fluoren-9-ide;trimethyl(propoxy)silane?
The IUPAC name of tert-butylazanide;carbanide;dichloro(methylidene)zirconium;9H-fluoren-9-ide;trimethyl(propoxy)silane (CID 87935803) is tert-butylazanide;carbanide;dichloro(methylidene)zirconium;9H-fluoren-9-ide;trimethyl(propoxy)silane.
What is the SMILES notation for tert-butylazanide;carbanide;dichloro(methylidene)zirconium;9H-fluoren-9-ide;trimethyl(propoxy)silane?
The canonical SMILES for tert-butylazanide;carbanide;dichloro(methylidene)zirconium;9H-fluoren-9-ide;trimethyl(propoxy)silane is C=[Zr](Cl)Cl.CC(C)(C)[NH-].[CH2-]CCO[Si](C)(C)C.[CH3-].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of tert-butylazanide;carbanide;dichloro(methylidene)zirconium;9H-fluoren-9-ide;trimethyl(propoxy)silane?
The InChIKey is PIKAYEXTKYDNIJ-UHFFFAOYSA-L. 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;;;;+2/p-2.
What are the key properties of tert-butylazanide;carbanide;dichloro(methylidene)zirconium;9H-fluoren-9-ide;trimethyl(propoxy)silane?
tert-butylazanide;carbanide;dichloro(methylidene)zirconium;9H-fluoren-9-ide;trimethyl(propoxy)silane has a molecular weight of 559.81 g/mol, XLogP of 9.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylazanide;carbanide;dichloro(methylidene)zirconium;9H-fluoren-9-ide;trimethyl(propoxy)silane is sourced from PubChem (CID 87935803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).