tris(4-tert-butylphenyl)alumane

C30H39Al — CID 159922072

IUPACtris(4-tert-butylphenyl)alumane
SMILESCC(C)(C)c1ccc([Al](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/3C10H13.Al/c3*1-10(2,3)9-7-5-4-6-8-9;/h3*5-8H,1-3H3;
InChIKeyNYNLAZIHDZWCGE-UHFFFAOYSA-N
MW426.62 g/mol
LogP6.10
Rot. Bonds3

About tris(4-tert-butylphenyl)alumane

tris(4-tert-butylphenyl)alumane (PubChem CID 159922072) has the molecular formula C30H39Al and a molecular weight of 426.62 g/mol. Its IUPAC name is tris(4-tert-butylphenyl)alumane.

Molecular Properties

Compound Nametris(4-tert-butylphenyl)alumane
PubChem CID159922072
Molecular FormulaC30H39Al
Molecular Weight426.62 g/mol
Exact Mass426.29
IUPAC Nametris(4-tert-butylphenyl)alumane
SMILESCC(C)(C)c1ccc([Al](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/3C10H13.Al/c3*1-10(2,3)9-7-5-4-6-8-9;/h3*5-8H,1-3H3;
InChIKeyNYNLAZIHDZWCGE-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 ≤ 500426.62
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tris(4-tert-butylphenyl)alumane with MolForge

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

Launch Full Analysis

Related Compounds

1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087
tris(4-tert-butylphenyl)gallane
CID 71443568
1-tert-butyl-4-methylbenzene
CID 163486601
N,4-ditert-butyl-N-(4-tert-butylphenyl)aniline
CID 90222675
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
(4-tert-butylphenyl)alumane
CID 174308515
(4-tert-butylphenyl)-trifluoro-dimethyl-λ6-sulfane
CID 141200509
4-tert-butylphenol;nickel
CID 162056786
4-tert-butylphenol;cobalt
CID 174380967
tetrakis(4-tert-butylpyridine);bis(molybdenum(2+));tetrachloride
CID 139134561
bis(4-tert-butylphenol);zirconium
CID 87864994
1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 102332044

Frequently Asked Questions

What is the IUPAC name of tris(4-tert-butylphenyl)alumane?
The IUPAC name of tris(4-tert-butylphenyl)alumane (CID 159922072) is tris(4-tert-butylphenyl)alumane.
What is the SMILES notation for tris(4-tert-butylphenyl)alumane?
The canonical SMILES for tris(4-tert-butylphenyl)alumane is CC(C)(C)c1ccc([Al](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of tris(4-tert-butylphenyl)alumane?
The InChIKey is NYNLAZIHDZWCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H13.Al/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)alumane?
tris(4-tert-butylphenyl)alumane has a molecular weight of 426.62 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)alumane is sourced from PubChem (CID 159922072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).