3,5,7-triphenyl-3H-1-benzofuran-2-one

C26H18O2 — CID 21133214

IUPAC3,5,7-triphenyl-3H-1-benzofuran-2-one
SMILESO=C1Oc2c(-c3ccccc3)cc(-c3ccccc3)cc2C1c1ccccc1
InChIInChI=1S/C26H18O2/c27-26-24(20-14-8-3-9-15-20)23-17-21(18-10-4-1-5-11-18)16-22(25(23)28-26)19-12-6-2-7-13-19/h1-17,24H
InChIKeyHRDINCXSLYGJFL-UHFFFAOYSA-N
MW362.43 g/mol
LogP6.07
Rot. Bonds3

About 3,5,7-triphenyl-3H-1-benzofuran-2-one

3,5,7-triphenyl-3H-1-benzofuran-2-one (PubChem CID 21133214) has the molecular formula C26H18O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3,5,7-triphenyl-3H-1-benzofuran-2-one.

Molecular Properties

Compound Name3,5,7-triphenyl-3H-1-benzofuran-2-one
PubChem CID21133214
Molecular FormulaC26H18O2
Molecular Weight362.43 g/mol
Exact Mass362.13
IUPAC Name3,5,7-triphenyl-3H-1-benzofuran-2-one
SMILESO=C1Oc2c(-c3ccccc3)cc(-c3ccccc3)cc2C1c1ccccc1
InChIInChI=1S/C26H18O2/c27-26-24(20-14-8-3-9-15-20)23-17-21(18-10-4-1-5-11-18)16-22(25(23)28-26)19-12-6-2-7-13-19/h1-17,24H
InChIKeyHRDINCXSLYGJFL-UHFFFAOYSA-N
XLogP6.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5,7-triphenyl-3H-1-benzofuran-2-one?
The IUPAC name of 3,5,7-triphenyl-3H-1-benzofuran-2-one (CID 21133214) is 3,5,7-triphenyl-3H-1-benzofuran-2-one.
What is the SMILES notation for 3,5,7-triphenyl-3H-1-benzofuran-2-one?
The canonical SMILES for 3,5,7-triphenyl-3H-1-benzofuran-2-one is O=C1Oc2c(-c3ccccc3)cc(-c3ccccc3)cc2C1c1ccccc1.
What is the InChIKey of 3,5,7-triphenyl-3H-1-benzofuran-2-one?
The InChIKey is HRDINCXSLYGJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O2/c27-26-24(20-14-8-3-9-15-20)23-17-21(18-10-4-1-5-11-18)16-22(25(23)28-26)19-12-6-2-7-13-19/h1-17,24H.
What are the key properties of 3,5,7-triphenyl-3H-1-benzofuran-2-one?
3,5,7-triphenyl-3H-1-benzofuran-2-one has a molecular weight of 362.43 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-triphenyl-3H-1-benzofuran-2-one is sourced from PubChem (CID 21133214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).