diphenylbismuthanyl benzoate

C19H15BiO2 — CID 16683123

IUPACdiphenylbismuthanyl benzoate
SMILESO=C(O[Bi](c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C7H6O2.2C6H5.Bi/c8-7(9)6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;/h1-5H,(H,8,9);2*1-5H;/q;;;+1/p-1
InChIKeyYGPQHTCSQNCBBO-UHFFFAOYSA-M
MW484.31 g/mol
LogP2.65
Rot. Bonds4

About diphenylbismuthanyl benzoate

diphenylbismuthanyl benzoate (PubChem CID 16683123) has the molecular formula C19H15BiO2 and a molecular weight of 484.31 g/mol. Its IUPAC name is diphenylbismuthanyl benzoate.

Molecular Properties

Compound Namediphenylbismuthanyl benzoate
PubChem CID16683123
Molecular FormulaC19H15BiO2
Molecular Weight484.31 g/mol
Exact Mass484.09
IUPAC Namediphenylbismuthanyl benzoate
SMILESO=C(O[Bi](c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C7H6O2.2C6H5.Bi/c8-7(9)6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;/h1-5H,(H,8,9);2*1-5H;/q;;;+1/p-1
InChIKeyYGPQHTCSQNCBBO-UHFFFAOYSA-M
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of diphenylbismuthanyl benzoate?
The IUPAC name of diphenylbismuthanyl benzoate (CID 16683123) is diphenylbismuthanyl benzoate.
What is the SMILES notation for diphenylbismuthanyl benzoate?
The canonical SMILES for diphenylbismuthanyl benzoate is O=C(O[Bi](c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylbismuthanyl benzoate?
The InChIKey is YGPQHTCSQNCBBO-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O2.2C6H5.Bi/c8-7(9)6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;/h1-5H,(H,8,9);2*1-5H;/q;;;+1/p-1.
What are the key properties of diphenylbismuthanyl benzoate?
diphenylbismuthanyl benzoate has a molecular weight of 484.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylbismuthanyl benzoate is sourced from PubChem (CID 16683123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).