benzene;erbium(3+)

C18H15Er — CID 14361992

IUPACbenzene;erbium(3+)
SMILES[Er+3].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/3C6H5.Er/c3*1-2-4-6-5-3-1;/h3*1-5H;/q3*-1;+3
InChIKeyVAHGSUIRIRDNOE-UHFFFAOYSA-N
MW398.58 g/mol
LogP4.46
Rot. Bonds

About benzene;erbium(3+)

benzene;erbium(3+) (PubChem CID 14361992) has the molecular formula C18H15Er and a molecular weight of 398.58 g/mol. Its IUPAC name is benzene;erbium(3+).

Molecular Properties

Compound Namebenzene;erbium(3+)
PubChem CID14361992
Molecular FormulaC18H15Er
Molecular Weight398.58 g/mol
Exact Mass397.05
IUPAC Namebenzene;erbium(3+)
SMILES[Er+3].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/3C6H5.Er/c3*1-2-4-6-5-3-1;/h3*1-5H;/q3*-1;+3
InChIKeyVAHGSUIRIRDNOE-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 54.46
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 benzene;erbium(3+)?
The IUPAC name of benzene;erbium(3+) (CID 14361992) is benzene;erbium(3+).
What is the SMILES notation for benzene;erbium(3+)?
The canonical SMILES for benzene;erbium(3+) is [Er+3].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of benzene;erbium(3+)?
The InChIKey is VAHGSUIRIRDNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5.Er/c3*1-2-4-6-5-3-1;/h3*1-5H;/q3*-1;+3.
What are the key properties of benzene;erbium(3+)?
benzene;erbium(3+) has a molecular weight of 398.58 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;erbium(3+) is sourced from PubChem (CID 14361992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).