4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one

C32H22O2 — CID 71337459

IUPAC4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one
SMILESO=C1OCc2c1c(-c1ccccc1)c(-c1ccccc1)c(-c1ccccc1)c2-c1ccccc1
InChIInChI=1S/C32H22O2/c33-32-31-26(21-34-32)27(22-13-5-1-6-14-22)28(23-15-7-2-8-16-23)29(24-17-9-3-10-18-24)30(31)25-19-11-4-12-20-25/h1-20H,21H2
InChIKeyXASKKQPVPIMSRV-UHFFFAOYSA-N
MW438.53 g/mol
LogP8.02
Rot. Bonds4

About 4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one

4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one (PubChem CID 71337459) has the molecular formula C32H22O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one
PubChem CID71337459
Molecular FormulaC32H22O2
Molecular Weight438.53 g/mol
Exact Mass438.16
IUPAC Name4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one
SMILESO=C1OCc2c1c(-c1ccccc1)c(-c1ccccc1)c(-c1ccccc1)c2-c1ccccc1
InChIInChI=1S/C32H22O2/c33-32-31-26(21-34-32)27(22-13-5-1-6-14-22)28(23-15-7-2-8-16-23)29(24-17-9-3-10-18-24)30(31)25-19-11-4-12-20-25/h1-20H,21H2
InChIKeyXASKKQPVPIMSRV-UHFFFAOYSA-N
XLogP8.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one?
The IUPAC name of 4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one (CID 71337459) is 4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one?
The canonical SMILES for 4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one is O=C1OCc2c1c(-c1ccccc1)c(-c1ccccc1)c(-c1ccccc1)c2-c1ccccc1.
What is the InChIKey of 4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one?
The InChIKey is XASKKQPVPIMSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O2/c33-32-31-26(21-34-32)27(22-13-5-1-6-14-22)28(23-15-7-2-8-16-23)29(24-17-9-3-10-18-24)30(31)25-19-11-4-12-20-25/h1-20H,21H2.
What are the key properties of 4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one?
4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one has a molecular weight of 438.53 g/mol, XLogP of 8.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetraphenyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 71337459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).