benzene;carbanide;zirconium(4+)

C9H14Zr — CID 20669817

IUPACbenzene;carbanide;zirconium(4+)
SMILES[CH3-].[CH3-].[CH3-].[Zr+4].[c-]1ccccc1
InChIInChI=1S/C6H5.3CH3.Zr/c1-2-4-6-5-3-1;;;;/h1-5H;3*1H3;/q4*-1;+4
InChIKeyRFKWORQYSXZPHD-UHFFFAOYSA-N
MW213.44 g/mol
LogP2.84
Rot. Bonds

About benzene;carbanide;zirconium(4+)

benzene;carbanide;zirconium(4+) (PubChem CID 20669817) has the molecular formula C9H14Zr and a molecular weight of 213.44 g/mol. Its IUPAC name is benzene;carbanide;zirconium(4+).

Molecular Properties

Compound Namebenzene;carbanide;zirconium(4+)
PubChem CID20669817
Molecular FormulaC9H14Zr
Molecular Weight213.44 g/mol
Exact Mass212.01
IUPAC Namebenzene;carbanide;zirconium(4+)
SMILES[CH3-].[CH3-].[CH3-].[Zr+4].[c-]1ccccc1
InChIInChI=1S/C6H5.3CH3.Zr/c1-2-4-6-5-3-1;;;;/h1-5H;3*1H3;/q4*-1;+4
InChIKeyRFKWORQYSXZPHD-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.44
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze benzene;carbanide;zirconium(4+) with MolForge

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

Launch Full Analysis

Related Compounds

benzene;carbanide;rhenium
CID 59092745
benzene;carbanide;titanium(4+)
CID 23075151
magnesium;benzene;carbanide;hydrochloride
CID 87590020
benzene;rubidium(1+)
CID 58828835
benzene;chromium
CID 57417677
benzene;cadmium(2+)
CID 24939781
potassium;benzene;hydrate
CID 174848030
benzene;iron;tetrahydrate
CID 166063393
benzene;bromocopper;carbanide
CID 134843479
benzene;carbanide;ethane;tungsten(2+)
CID 142860812
benzene;titanium(2+);dichloride
CID 171374998
benzene;zinc;hydrobromide
CID 87204940

Frequently Asked Questions

What is the IUPAC name of benzene;carbanide;zirconium(4+)?
The IUPAC name of benzene;carbanide;zirconium(4+) (CID 20669817) is benzene;carbanide;zirconium(4+).
What is the SMILES notation for benzene;carbanide;zirconium(4+)?
The canonical SMILES for benzene;carbanide;zirconium(4+) is [CH3-].[CH3-].[CH3-].[Zr+4].[c-]1ccccc1.
What is the InChIKey of benzene;carbanide;zirconium(4+)?
The InChIKey is RFKWORQYSXZPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.3CH3.Zr/c1-2-4-6-5-3-1;;;;/h1-5H;3*1H3;/q4*-1;+4.
What are the key properties of benzene;carbanide;zirconium(4+)?
benzene;carbanide;zirconium(4+) has a molecular weight of 213.44 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;carbanide;zirconium(4+) is sourced from PubChem (CID 20669817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).