tris(2,4,6-trimethylphenyl)bismuthane

C27H33Bi — CID 4670734

IUPACtris(2,4,6-trimethylphenyl)bismuthane
SMILESCc1cc(C)c([Bi](c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/3C9H11.Bi/c3*1-7-4-8(2)6-9(3)5-7;/h3*4-5H,1-3H3;
InChIKeyBNECSQBRUJYXAU-UHFFFAOYSA-N
MW566.54 g/mol
LogP4.98
Rot. Bonds3

About tris(2,4,6-trimethylphenyl)bismuthane

tris(2,4,6-trimethylphenyl)bismuthane (PubChem CID 4670734) has the molecular formula C27H33Bi and a molecular weight of 566.54 g/mol. Its IUPAC name is tris(2,4,6-trimethylphenyl)bismuthane.

Molecular Properties

Compound Nametris(2,4,6-trimethylphenyl)bismuthane
PubChem CID4670734
Molecular FormulaC27H33Bi
Molecular Weight566.54 g/mol
Exact Mass566.24
IUPAC Nametris(2,4,6-trimethylphenyl)bismuthane
SMILESCc1cc(C)c([Bi](c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/3C9H11.Bi/c3*1-7-4-8(2)6-9(3)5-7;/h3*4-5H,1-3H3;
InChIKeyBNECSQBRUJYXAU-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.54
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tris(2,4,6-trimethylphenyl)bismuthane?
The IUPAC name of tris(2,4,6-trimethylphenyl)bismuthane (CID 4670734) is tris(2,4,6-trimethylphenyl)bismuthane.
What is the SMILES notation for tris(2,4,6-trimethylphenyl)bismuthane?
The canonical SMILES for tris(2,4,6-trimethylphenyl)bismuthane is Cc1cc(C)c([Bi](c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of tris(2,4,6-trimethylphenyl)bismuthane?
The InChIKey is BNECSQBRUJYXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H11.Bi/c3*1-7-4-8(2)6-9(3)5-7;/h3*4-5H,1-3H3;.
What are the key properties of tris(2,4,6-trimethylphenyl)bismuthane?
tris(2,4,6-trimethylphenyl)bismuthane has a molecular weight of 566.54 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,4,6-trimethylphenyl)bismuthane is sourced from PubChem (CID 4670734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).