tetrakis(2,5-dimethyl-1H-pyrrole);zirconium

C24H36N4Zr — CID 157479354

IUPACtetrakis(2,5-dimethyl-1H-pyrrole);zirconium
SMILESCc1ccc(C)[nH]1.Cc1ccc(C)[nH]1.Cc1ccc(C)[nH]1.Cc1ccc(C)[nH]1.[Zr]
InChIInChI=1S/4C6H9N.Zr/c4*1-5-3-4-6(2)7-5;/h4*3-4,7H,1-2H3;
InChIKeyBVZAXJDRNDXUIK-UHFFFAOYSA-N
MW471.80 g/mol
LogP6.52
Rot. Bonds

About tetrakis(2,5-dimethyl-1H-pyrrole);zirconium

tetrakis(2,5-dimethyl-1H-pyrrole);zirconium (PubChem CID 157479354) has the molecular formula C24H36N4Zr and a molecular weight of 471.80 g/mol. Its IUPAC name is tetrakis(2,5-dimethyl-1H-pyrrole);zirconium.

Molecular Properties

Compound Nametetrakis(2,5-dimethyl-1H-pyrrole);zirconium
PubChem CID157479354
Molecular FormulaC24H36N4Zr
Molecular Weight471.80 g/mol
Exact Mass470.20
IUPAC Nametetrakis(2,5-dimethyl-1H-pyrrole);zirconium
SMILESCc1ccc(C)[nH]1.Cc1ccc(C)[nH]1.Cc1ccc(C)[nH]1.Cc1ccc(C)[nH]1.[Zr]
InChIInChI=1S/4C6H9N.Zr/c4*1-5-3-4-6(2)7-5;/h4*3-4,7H,1-2H3;
InChIKeyBVZAXJDRNDXUIK-UHFFFAOYSA-N
XLogP6.52
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.80
LogP ≤ 56.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tetrakis(2,5-dimethyl-1H-pyrrole);zirconium?
The IUPAC name of tetrakis(2,5-dimethyl-1H-pyrrole);zirconium (CID 157479354) is tetrakis(2,5-dimethyl-1H-pyrrole);zirconium.
What is the SMILES notation for tetrakis(2,5-dimethyl-1H-pyrrole);zirconium?
The canonical SMILES for tetrakis(2,5-dimethyl-1H-pyrrole);zirconium is Cc1ccc(C)[nH]1.Cc1ccc(C)[nH]1.Cc1ccc(C)[nH]1.Cc1ccc(C)[nH]1.[Zr].
What is the InChIKey of tetrakis(2,5-dimethyl-1H-pyrrole);zirconium?
The InChIKey is BVZAXJDRNDXUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H9N.Zr/c4*1-5-3-4-6(2)7-5;/h4*3-4,7H,1-2H3;.
What are the key properties of tetrakis(2,5-dimethyl-1H-pyrrole);zirconium?
tetrakis(2,5-dimethyl-1H-pyrrole);zirconium has a molecular weight of 471.80 g/mol, XLogP of 6.52, 0 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,5-dimethyl-1H-pyrrole);zirconium is sourced from PubChem (CID 157479354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).