benzene;yttrium(3+)

C18H15Y — CID 21049859

IUPACbenzene;yttrium(3+)
SMILES[Y+3].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/3C6H5.Y/c3*1-2-4-6-5-3-1;/h3*1-5H;/q3*-1;+3
InChIKeyRPGVWDLWKAAOIS-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.46
Rot. Bonds

About benzene;yttrium(3+)

benzene;yttrium(3+) (PubChem CID 21049859) has the molecular formula C18H15Y and a molecular weight of 320.22 g/mol. Its IUPAC name is benzene;yttrium(3+).

Molecular Properties

Compound Namebenzene;yttrium(3+)
PubChem CID21049859
Molecular FormulaC18H15Y
Molecular Weight320.22 g/mol
Exact Mass320.02
IUPAC Namebenzene;yttrium(3+)
SMILES[Y+3].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/3C6H5.Y/c3*1-2-4-6-5-3-1;/h3*1-5H;/q3*-1;+3
InChIKeyRPGVWDLWKAAOIS-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 ≤ 500320.22
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;yttrium(3+)?
The IUPAC name of benzene;yttrium(3+) (CID 21049859) is benzene;yttrium(3+).
What is the SMILES notation for benzene;yttrium(3+)?
The canonical SMILES for benzene;yttrium(3+) is [Y+3].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of benzene;yttrium(3+)?
The InChIKey is RPGVWDLWKAAOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5.Y/c3*1-2-4-6-5-3-1;/h3*1-5H;/q3*-1;+3.
What are the key properties of benzene;yttrium(3+)?
benzene;yttrium(3+) has a molecular weight of 320.22 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;yttrium(3+) is sourced from PubChem (CID 21049859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).