bis(2,4,6-trimethyl-1H-inden-1-ide);zirconium(2+)

C24H26Zr — CID 142685568

IUPACbis(2,4,6-trimethyl-1H-inden-1-ide);zirconium(2+)
SMILESCc1cc(C)c2cc(C)[cH-]c2c1.Cc1cc(C)c2cc(C)[cH-]c2c1.[Zr+2]
InChIInChI=1S/2C12H13.Zr/c2*1-8-4-10(3)12-7-9(2)6-11(12)5-8;/h2*4-7H,1-3H3;/q2*-1;+2
InChIKeyPJJWXJIREZQKJU-UHFFFAOYSA-N
MW405.70 g/mol
LogP6.97
Rot. Bonds

About bis(2,4,6-trimethyl-1H-inden-1-ide);zirconium(2+)

bis(2,4,6-trimethyl-1H-inden-1-ide);zirconium(2+) (PubChem CID 142685568) has the molecular formula C24H26Zr and a molecular weight of 405.70 g/mol. Its IUPAC name is bis(2,4,6-trimethyl-1H-inden-1-ide);zirconium(2+).

Molecular Properties

Compound Namebis(2,4,6-trimethyl-1H-inden-1-ide);zirconium(2+)
PubChem CID142685568
Molecular FormulaC24H26Zr
Molecular Weight405.70 g/mol
Exact Mass404.11
IUPAC Namebis(2,4,6-trimethyl-1H-inden-1-ide);zirconium(2+)
SMILESCc1cc(C)c2cc(C)[cH-]c2c1.Cc1cc(C)c2cc(C)[cH-]c2c1.[Zr+2]
InChIInChI=1S/2C12H13.Zr/c2*1-8-4-10(3)12-7-9(2)6-11(12)5-8;/h2*4-7H,1-3H3;/q2*-1;+2
InChIKeyPJJWXJIREZQKJU-UHFFFAOYSA-N
XLogP6.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.70
LogP ≤ 56.97
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 bis(2,4,6-trimethyl-1H-inden-1-ide);zirconium(2+)?
The IUPAC name of bis(2,4,6-trimethyl-1H-inden-1-ide);zirconium(2+) (CID 142685568) is bis(2,4,6-trimethyl-1H-inden-1-ide);zirconium(2+).
What is the SMILES notation for bis(2,4,6-trimethyl-1H-inden-1-ide);zirconium(2+)?
The canonical SMILES for bis(2,4,6-trimethyl-1H-inden-1-ide);zirconium(2+) is Cc1cc(C)c2cc(C)[cH-]c2c1.Cc1cc(C)c2cc(C)[cH-]c2c1.[Zr+2].
What is the InChIKey of bis(2,4,6-trimethyl-1H-inden-1-ide);zirconium(2+)?
The InChIKey is PJJWXJIREZQKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13.Zr/c2*1-8-4-10(3)12-7-9(2)6-11(12)5-8;/h2*4-7H,1-3H3;/q2*-1;+2.
What are the key properties of bis(2,4,6-trimethyl-1H-inden-1-ide);zirconium(2+)?
bis(2,4,6-trimethyl-1H-inden-1-ide);zirconium(2+) has a molecular weight of 405.70 g/mol, XLogP of 6.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4,6-trimethyl-1H-inden-1-ide);zirconium(2+) is sourced from PubChem (CID 142685568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).