tris(2-propan-2-ylcyclopenta-1,3-diene);terbium(3+)

C24H33Tb — CID 118856050

IUPACtris(2-propan-2-ylcyclopenta-1,3-diene);terbium(3+)
SMILESCC(C)c1cc[cH-]c1.CC(C)c1cc[cH-]c1.CC(C)c1cc[cH-]c1.[Tb+3]
InChIInChI=1S/3C8H11.Tb/c3*1-7(2)8-5-3-4-6-8;/h3*3-7H,1-2H3;/q3*-1;+3
InChIKeyWJLSTRBHHGHGIJ-UHFFFAOYSA-N
MW480.45 g/mol
LogP7.59
Rot. Bonds3

About tris(2-propan-2-ylcyclopenta-1,3-diene);terbium(3+)

tris(2-propan-2-ylcyclopenta-1,3-diene);terbium(3+) (PubChem CID 118856050) has the molecular formula C24H33Tb and a molecular weight of 480.45 g/mol. Its IUPAC name is tris(2-propan-2-ylcyclopenta-1,3-diene);terbium(3+).

Molecular Properties

Compound Nametris(2-propan-2-ylcyclopenta-1,3-diene);terbium(3+)
PubChem CID118856050
Molecular FormulaC24H33Tb
Molecular Weight480.45 g/mol
Exact Mass480.18
IUPAC Nametris(2-propan-2-ylcyclopenta-1,3-diene);terbium(3+)
SMILESCC(C)c1cc[cH-]c1.CC(C)c1cc[cH-]c1.CC(C)c1cc[cH-]c1.[Tb+3]
InChIInChI=1S/3C8H11.Tb/c3*1-7(2)8-5-3-4-6-8;/h3*3-7H,1-2H3;/q3*-1;+3
InChIKeyWJLSTRBHHGHGIJ-UHFFFAOYSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.45
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tris(2-propan-2-ylcyclopenta-1,3-diene);terbium(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 tris(2-propan-2-ylcyclopenta-1,3-diene);terbium(3+)?
The IUPAC name of tris(2-propan-2-ylcyclopenta-1,3-diene);terbium(3+) (CID 118856050) is tris(2-propan-2-ylcyclopenta-1,3-diene);terbium(3+).
What is the SMILES notation for tris(2-propan-2-ylcyclopenta-1,3-diene);terbium(3+)?
The canonical SMILES for tris(2-propan-2-ylcyclopenta-1,3-diene);terbium(3+) is CC(C)c1cc[cH-]c1.CC(C)c1cc[cH-]c1.CC(C)c1cc[cH-]c1.[Tb+3].
What is the InChIKey of tris(2-propan-2-ylcyclopenta-1,3-diene);terbium(3+)?
The InChIKey is WJLSTRBHHGHGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H11.Tb/c3*1-7(2)8-5-3-4-6-8;/h3*3-7H,1-2H3;/q3*-1;+3.
What are the key properties of tris(2-propan-2-ylcyclopenta-1,3-diene);terbium(3+)?
tris(2-propan-2-ylcyclopenta-1,3-diene);terbium(3+) has a molecular weight of 480.45 g/mol, XLogP of 7.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-propan-2-ylcyclopenta-1,3-diene);terbium(3+) is sourced from PubChem (CID 118856050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).