ethane;bis(9H-fluoren-9-ide);zirconium(2+)

C28H24Zr — CID 23215639

IUPACethane;bis(9H-fluoren-9-ide);zirconium(2+)
SMILESCC.[Zr+2].c1ccc2c(c1)[cH-]c1ccccc12.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/2C13H9.C2H6.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2;/h2*1-9H;1-2H3;/q2*-1;;+2
InChIKeyGNKULNCBUWWQGP-UHFFFAOYSA-N
MW451.72 g/mol
LogP8.45
Rot. Bonds

About ethane;bis(9H-fluoren-9-ide);zirconium(2+)

ethane;bis(9H-fluoren-9-ide);zirconium(2+) (PubChem CID 23215639) has the molecular formula C28H24Zr and a molecular weight of 451.72 g/mol. Its IUPAC name is ethane;bis(9H-fluoren-9-ide);zirconium(2+).

Molecular Properties

Compound Nameethane;bis(9H-fluoren-9-ide);zirconium(2+)
PubChem CID23215639
Molecular FormulaC28H24Zr
Molecular Weight451.72 g/mol
Exact Mass450.09
IUPAC Nameethane;bis(9H-fluoren-9-ide);zirconium(2+)
SMILESCC.[Zr+2].c1ccc2c(c1)[cH-]c1ccccc12.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/2C13H9.C2H6.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2;/h2*1-9H;1-2H3;/q2*-1;;+2
InChIKeyGNKULNCBUWWQGP-UHFFFAOYSA-N
XLogP8.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.72
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;bis(9H-fluoren-9-ide);zirconium(2+)?
The IUPAC name of ethane;bis(9H-fluoren-9-ide);zirconium(2+) (CID 23215639) is ethane;bis(9H-fluoren-9-ide);zirconium(2+).
What is the SMILES notation for ethane;bis(9H-fluoren-9-ide);zirconium(2+)?
The canonical SMILES for ethane;bis(9H-fluoren-9-ide);zirconium(2+) is CC.[Zr+2].c1ccc2c(c1)[cH-]c1ccccc12.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of ethane;bis(9H-fluoren-9-ide);zirconium(2+)?
The InChIKey is GNKULNCBUWWQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9.C2H6.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2;/h2*1-9H;1-2H3;/q2*-1;;+2.
What are the key properties of ethane;bis(9H-fluoren-9-ide);zirconium(2+)?
ethane;bis(9H-fluoren-9-ide);zirconium(2+) has a molecular weight of 451.72 g/mol, XLogP of 8.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(9H-fluoren-9-ide);zirconium(2+) is sourced from PubChem (CID 23215639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).