tris(4-prop-1-en-2-ylphenyl) stiborite

C27H27O3Sb — CID 172799165

IUPACtris(4-prop-1-en-2-ylphenyl) stiborite
SMILESC=C(C)c1ccc(O[Sb](Oc2ccc(C(=C)C)cc2)Oc2ccc(C(=C)C)cc2)cc1
InChIInChI=1S/3C9H10O.Sb/c3*1-7(2)8-3-5-9(10)6-4-8;/h3*3-6,10H,1H2,2H3;/q;;;+3/p-3
InChIKeyQPTYHXVXGIYYFJ-UHFFFAOYSA-K
MW521.27 g/mol
LogP7.31
Rot. Bonds9

About tris(4-prop-1-en-2-ylphenyl) stiborite

tris(4-prop-1-en-2-ylphenyl) stiborite (PubChem CID 172799165) has the molecular formula C27H27O3Sb and a molecular weight of 521.27 g/mol. Its IUPAC name is tris(4-prop-1-en-2-ylphenyl) stiborite.

Molecular Properties

Compound Nametris(4-prop-1-en-2-ylphenyl) stiborite
PubChem CID172799165
Molecular FormulaC27H27O3Sb
Molecular Weight521.27 g/mol
Exact Mass520.10
IUPAC Nametris(4-prop-1-en-2-ylphenyl) stiborite
SMILESC=C(C)c1ccc(O[Sb](Oc2ccc(C(=C)C)cc2)Oc2ccc(C(=C)C)cc2)cc1
InChIInChI=1S/3C9H10O.Sb/c3*1-7(2)8-3-5-9(10)6-4-8;/h3*3-6,10H,1H2,2H3;/q;;;+3/p-3
InChIKeyQPTYHXVXGIYYFJ-UHFFFAOYSA-K
XLogP7.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.27
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(4-prop-1-en-2-ylphenyl) stiborite?
The IUPAC name of tris(4-prop-1-en-2-ylphenyl) stiborite (CID 172799165) is tris(4-prop-1-en-2-ylphenyl) stiborite.
What is the SMILES notation for tris(4-prop-1-en-2-ylphenyl) stiborite?
The canonical SMILES for tris(4-prop-1-en-2-ylphenyl) stiborite is C=C(C)c1ccc(O[Sb](Oc2ccc(C(=C)C)cc2)Oc2ccc(C(=C)C)cc2)cc1.
What is the InChIKey of tris(4-prop-1-en-2-ylphenyl) stiborite?
The InChIKey is QPTYHXVXGIYYFJ-UHFFFAOYSA-K. The full InChI is InChI=1S/3C9H10O.Sb/c3*1-7(2)8-3-5-9(10)6-4-8;/h3*3-6,10H,1H2,2H3;/q;;;+3/p-3.
What are the key properties of tris(4-prop-1-en-2-ylphenyl) stiborite?
tris(4-prop-1-en-2-ylphenyl) stiborite has a molecular weight of 521.27 g/mol, XLogP of 7.31, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-prop-1-en-2-ylphenyl) stiborite is sourced from PubChem (CID 172799165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).