carbanide;1,4-dimethyl-1,2-dihydroinden-2-ide;5-methylcyclopenta-1,3-diene;zirconium(4+)

C19H24Zr — CID 166523456

IUPACcarbanide;1,4-dimethyl-1,2-dihydroinden-2-ide;5-methylcyclopenta-1,3-diene;zirconium(4+)
SMILESC[c-]1cccc1.Cc1cccc2c1C=[C-]C2C.[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/C11H11.C6H7.2CH3.Zr/c1-8-4-3-5-10-9(2)6-7-11(8)10;1-6-4-2-3-5-6;;;/h3-5,7,9H,1-2H3;2-5H,1H3;2*1H3;/q4*-1;+4
InChIKeyPPTIEBDZFBBGBX-UHFFFAOYSA-N
MW343.63 g/mol
LogP5.54
Rot. Bonds

About carbanide;1,4-dimethyl-1,2-dihydroinden-2-ide;5-methylcyclopenta-1,3-diene;zirconium(4+)

carbanide;1,4-dimethyl-1,2-dihydroinden-2-ide;5-methylcyclopenta-1,3-diene;zirconium(4+) (PubChem CID 166523456) has the molecular formula C19H24Zr and a molecular weight of 343.63 g/mol. Its IUPAC name is carbanide;1,4-dimethyl-1,2-dihydroinden-2-ide;5-methylcyclopenta-1,3-diene;zirconium(4+).

Molecular Properties

Compound Namecarbanide;1,4-dimethyl-1,2-dihydroinden-2-ide;5-methylcyclopenta-1,3-diene;zirconium(4+)
PubChem CID166523456
Molecular FormulaC19H24Zr
Molecular Weight343.63 g/mol
Exact Mass342.09
IUPAC Namecarbanide;1,4-dimethyl-1,2-dihydroinden-2-ide;5-methylcyclopenta-1,3-diene;zirconium(4+)
SMILESC[c-]1cccc1.Cc1cccc2c1C=[C-]C2C.[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/C11H11.C6H7.2CH3.Zr/c1-8-4-3-5-10-9(2)6-7-11(8)10;1-6-4-2-3-5-6;;;/h3-5,7,9H,1-2H3;2-5H,1H3;2*1H3;/q4*-1;+4
InChIKeyPPTIEBDZFBBGBX-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.63
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze carbanide;1,4-dimethyl-1,2-dihydroinden-2-ide;5-methylcyclopenta-1,3-diene;zirconium(4+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;1,4-dimethyl-1,2-dihydroinden-2-ide;5-methylcyclopenta-1,3-diene;zirconium(4+)?
The IUPAC name of carbanide;1,4-dimethyl-1,2-dihydroinden-2-ide;5-methylcyclopenta-1,3-diene;zirconium(4+) (CID 166523456) is carbanide;1,4-dimethyl-1,2-dihydroinden-2-ide;5-methylcyclopenta-1,3-diene;zirconium(4+).
What is the SMILES notation for carbanide;1,4-dimethyl-1,2-dihydroinden-2-ide;5-methylcyclopenta-1,3-diene;zirconium(4+)?
The canonical SMILES for carbanide;1,4-dimethyl-1,2-dihydroinden-2-ide;5-methylcyclopenta-1,3-diene;zirconium(4+) is C[c-]1cccc1.Cc1cccc2c1C=[C-]C2C.[CH3-].[CH3-].[Zr+4].
What is the InChIKey of carbanide;1,4-dimethyl-1,2-dihydroinden-2-ide;5-methylcyclopenta-1,3-diene;zirconium(4+)?
The InChIKey is PPTIEBDZFBBGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11.C6H7.2CH3.Zr/c1-8-4-3-5-10-9(2)6-7-11(8)10;1-6-4-2-3-5-6;;;/h3-5,7,9H,1-2H3;2-5H,1H3;2*1H3;/q4*-1;+4.
What are the key properties of carbanide;1,4-dimethyl-1,2-dihydroinden-2-ide;5-methylcyclopenta-1,3-diene;zirconium(4+)?
carbanide;1,4-dimethyl-1,2-dihydroinden-2-ide;5-methylcyclopenta-1,3-diene;zirconium(4+) has a molecular weight of 343.63 g/mol, XLogP of 5.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1,4-dimethyl-1,2-dihydroinden-2-ide;5-methylcyclopenta-1,3-diene;zirconium(4+) is sourced from PubChem (CID 166523456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).