benzene;thulium(3+)

C18H15Tm — CID 134903028

IUPACbenzene;thulium(3+)
SMILES[Tm+3].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/3C6H5.Tm/c3*1-2-4-6-5-3-1;/h3*1-5H;/q3*-1;+3
InChIKeyFXLZATORVFCQHJ-UHFFFAOYSA-N
MW400.25 g/mol
LogP4.46
Rot. Bonds

About benzene;thulium(3+)

benzene;thulium(3+) (PubChem CID 134903028) has the molecular formula C18H15Tm and a molecular weight of 400.25 g/mol. Its IUPAC name is benzene;thulium(3+).

Molecular Properties

Compound Namebenzene;thulium(3+)
PubChem CID134903028
Molecular FormulaC18H15Tm
Molecular Weight400.25 g/mol
Exact Mass400.05
IUPAC Namebenzene;thulium(3+)
SMILES[Tm+3].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/3C6H5.Tm/c3*1-2-4-6-5-3-1;/h3*1-5H;/q3*-1;+3
InChIKeyFXLZATORVFCQHJ-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 ≤ 500400.25
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze benzene;thulium(3+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzene;thulium(3+)?
The IUPAC name of benzene;thulium(3+) (CID 134903028) is benzene;thulium(3+).
What is the SMILES notation for benzene;thulium(3+)?
The canonical SMILES for benzene;thulium(3+) is [Tm+3].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of benzene;thulium(3+)?
The InChIKey is FXLZATORVFCQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5.Tm/c3*1-2-4-6-5-3-1;/h3*1-5H;/q3*-1;+3.
What are the key properties of benzene;thulium(3+)?
benzene;thulium(3+) has a molecular weight of 400.25 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;thulium(3+) is sourced from PubChem (CID 134903028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).