tris(4-tert-butylphenyl)gallane

C30H39Ga — CID 71443568

IUPACtris(4-tert-butylphenyl)gallane
SMILESCC(C)(C)c1ccc([Ga](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/3C10H13.Ga/c3*1-10(2,3)9-7-5-4-6-8-9;/h3*5-8H,1-3H3;
InChIKeyDFSBCHZSOZVINC-UHFFFAOYSA-N
MW469.37 g/mol
LogP6.10
Rot. Bonds3

About tris(4-tert-butylphenyl)gallane

tris(4-tert-butylphenyl)gallane (PubChem CID 71443568) has the molecular formula C30H39Ga and a molecular weight of 469.37 g/mol. Its IUPAC name is tris(4-tert-butylphenyl)gallane.

Molecular Properties

Compound Nametris(4-tert-butylphenyl)gallane
PubChem CID71443568
Molecular FormulaC30H39Ga
Molecular Weight469.37 g/mol
Exact Mass468.23
IUPAC Nametris(4-tert-butylphenyl)gallane
SMILESCC(C)(C)c1ccc([Ga](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/3C10H13.Ga/c3*1-10(2,3)9-7-5-4-6-8-9;/h3*5-8H,1-3H3;
InChIKeyDFSBCHZSOZVINC-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.37
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tris(4-tert-butylphenyl)gallane 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(4-tert-butylphenyl)gallane?
The IUPAC name of tris(4-tert-butylphenyl)gallane (CID 71443568) is tris(4-tert-butylphenyl)gallane.
What is the SMILES notation for tris(4-tert-butylphenyl)gallane?
The canonical SMILES for tris(4-tert-butylphenyl)gallane is CC(C)(C)c1ccc([Ga](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of tris(4-tert-butylphenyl)gallane?
The InChIKey is DFSBCHZSOZVINC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H13.Ga/c3*1-10(2,3)9-7-5-4-6-8-9;/h3*5-8H,1-3H3;.
What are the key properties of tris(4-tert-butylphenyl)gallane?
tris(4-tert-butylphenyl)gallane has a molecular weight of 469.37 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-tert-butylphenyl)gallane is sourced from PubChem (CID 71443568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).