tris(2,5-dimethylphenyl)alumane

C24H27Al — CID 173265347

IUPACtris(2,5-dimethylphenyl)alumane
SMILESCc1ccc(C)c([Al](c2cc(C)ccc2C)c2cc(C)ccc2C)c1
InChIInChI=1S/3C8H9.Al/c3*1-7-3-5-8(2)6-4-7;/h3*3-5H,1-2H3;
InChIKeyFUXGJFDAWNONMB-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.05
Rot. Bonds3

About tris(2,5-dimethylphenyl)alumane

tris(2,5-dimethylphenyl)alumane (PubChem CID 173265347) has the molecular formula C24H27Al and a molecular weight of 342.46 g/mol. Its IUPAC name is tris(2,5-dimethylphenyl)alumane.

Molecular Properties

Compound Nametris(2,5-dimethylphenyl)alumane
PubChem CID173265347
Molecular FormulaC24H27Al
Molecular Weight342.46 g/mol
Exact Mass342.19
IUPAC Nametris(2,5-dimethylphenyl)alumane
SMILESCc1ccc(C)c([Al](c2cc(C)ccc2C)c2cc(C)ccc2C)c1
InChIInChI=1S/3C8H9.Al/c3*1-7-3-5-8(2)6-4-7;/h3*3-5H,1-2H3;
InChIKeyFUXGJFDAWNONMB-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tris(2,5-dimethylphenyl)alumane 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(2,5-dimethylphenyl)alumane?
The IUPAC name of tris(2,5-dimethylphenyl)alumane (CID 173265347) is tris(2,5-dimethylphenyl)alumane.
What is the SMILES notation for tris(2,5-dimethylphenyl)alumane?
The canonical SMILES for tris(2,5-dimethylphenyl)alumane is Cc1ccc(C)c([Al](c2cc(C)ccc2C)c2cc(C)ccc2C)c1.
What is the InChIKey of tris(2,5-dimethylphenyl)alumane?
The InChIKey is FUXGJFDAWNONMB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H9.Al/c3*1-7-3-5-8(2)6-4-7;/h3*3-5H,1-2H3;.
What are the key properties of tris(2,5-dimethylphenyl)alumane?
tris(2,5-dimethylphenyl)alumane has a molecular weight of 342.46 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,5-dimethylphenyl)alumane is sourced from PubChem (CID 173265347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).