butane;carbanide;bis(1,9-dihydrofluoren-1-ide);silylidenezirconium;dihydrochloride

C31H34Cl2SiZr-4 — CID 173260999

IUPACbutane;carbanide;bis(1,9-dihydrofluoren-1-ide);silylidenezirconium;dihydrochloride
SMILESCl.Cl.[CH2-]CCC.[CH3-].[SiH2]=[Zr].[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/2C13H9.C4H9.CH3.2ClH.H2Si.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-4-2;;;;;/h2*1-5,7-8H,9H2;1,3-4H2,2H3;1H3;2*1H;1H2;/q4*-1;;;;
InChIKeyWYEMEPLBGWJLFE-UHFFFAOYSA-N
MW596.83 g/mol
LogP8.11
Rot. Bonds1

About butane;carbanide;bis(1,9-dihydrofluoren-1-ide);silylidenezirconium;dihydrochloride

butane;carbanide;bis(1,9-dihydrofluoren-1-ide);silylidenezirconium;dihydrochloride (PubChem CID 173260999) has the molecular formula C31H34Cl2SiZr-4 and a molecular weight of 596.83 g/mol. Its IUPAC name is butane;carbanide;bis(1,9-dihydrofluoren-1-ide);silylidenezirconium;dihydrochloride.

Molecular Properties

Compound Namebutane;carbanide;bis(1,9-dihydrofluoren-1-ide);silylidenezirconium;dihydrochloride
PubChem CID173260999
Molecular FormulaC31H34Cl2SiZr-4
Molecular Weight596.83 g/mol
Exact Mass594.09
IUPAC Namebutane;carbanide;bis(1,9-dihydrofluoren-1-ide);silylidenezirconium;dihydrochloride
SMILESCl.Cl.[CH2-]CCC.[CH3-].[SiH2]=[Zr].[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/2C13H9.C4H9.CH3.2ClH.H2Si.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-4-2;;;;;/h2*1-5,7-8H,9H2;1,3-4H2,2H3;1H3;2*1H;1H2;/q4*-1;;;;
InChIKeyWYEMEPLBGWJLFE-UHFFFAOYSA-N
XLogP8.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.83
LogP ≤ 58.11
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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Related Compounds

butane;1,9-dihydrofluoren-1-ide;titanium(4+)
CID 150363800
butane;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;silylidenezirconium;dihydrochloride
CID 173157100
bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+)
CID 19698863
carbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium
CID 173275196
1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride
CID 173097726
bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride
CID 157229521
1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride
CID 173274804
bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+)
CID 22027323
1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide
CID 173097773
CID 154493054
CID 154493054
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;bis(2-methanidylpropane);silylidenezirconium;dihydrochloride
CID 173156970
bis(1,9-dihydrofluoren-1-ide);dimethylgermylidenezirconium(2+);dichloride
CID 159771388

Frequently Asked Questions

What is the IUPAC name of butane;carbanide;bis(1,9-dihydrofluoren-1-ide);silylidenezirconium;dihydrochloride?
The IUPAC name of butane;carbanide;bis(1,9-dihydrofluoren-1-ide);silylidenezirconium;dihydrochloride (CID 173260999) is butane;carbanide;bis(1,9-dihydrofluoren-1-ide);silylidenezirconium;dihydrochloride.
What is the SMILES notation for butane;carbanide;bis(1,9-dihydrofluoren-1-ide);silylidenezirconium;dihydrochloride?
The canonical SMILES for butane;carbanide;bis(1,9-dihydrofluoren-1-ide);silylidenezirconium;dihydrochloride is Cl.Cl.[CH2-]CCC.[CH3-].[SiH2]=[Zr].[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of butane;carbanide;bis(1,9-dihydrofluoren-1-ide);silylidenezirconium;dihydrochloride?
The InChIKey is WYEMEPLBGWJLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9.C4H9.CH3.2ClH.H2Si.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-4-2;;;;;/h2*1-5,7-8H,9H2;1,3-4H2,2H3;1H3;2*1H;1H2;/q4*-1;;;;.
What are the key properties of butane;carbanide;bis(1,9-dihydrofluoren-1-ide);silylidenezirconium;dihydrochloride?
butane;carbanide;bis(1,9-dihydrofluoren-1-ide);silylidenezirconium;dihydrochloride has a molecular weight of 596.83 g/mol, XLogP of 8.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;carbanide;bis(1,9-dihydrofluoren-1-ide);silylidenezirconium;dihydrochloride is sourced from PubChem (CID 173260999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).