pyrene;zirconium

C16H10Zr — CID 175873743

IUPACpyrene;zirconium
SMILES[Zr].c1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C16H10.Zr/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;/h1-10H;
InChIKeyZEAKDZJCZZPOTC-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.58
Rot. Bonds

About pyrene;zirconium

pyrene;zirconium (PubChem CID 175873743) has the molecular formula C16H10Zr and a molecular weight of 293.48 g/mol. Its IUPAC name is pyrene;zirconium.

Molecular Properties

Compound Namepyrene;zirconium
PubChem CID175873743
Molecular FormulaC16H10Zr
Molecular Weight293.48 g/mol
Exact Mass291.98
IUPAC Namepyrene;zirconium
SMILES[Zr].c1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C16H10.Zr/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;/h1-10H;
InChIKeyZEAKDZJCZZPOTC-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of pyrene;zirconium?
The IUPAC name of pyrene;zirconium (CID 175873743) is pyrene;zirconium.
What is the SMILES notation for pyrene;zirconium?
The canonical SMILES for pyrene;zirconium is [Zr].c1cc2ccc3cccc4ccc(c1)c2c34.
What is the InChIKey of pyrene;zirconium?
The InChIKey is ZEAKDZJCZZPOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10.Zr/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;/h1-10H;.
What are the key properties of pyrene;zirconium?
pyrene;zirconium has a molecular weight of 293.48 g/mol, XLogP of 4.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pyrene;zirconium is sourced from PubChem (CID 175873743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).