1,3,5,6-tetraphenyl-2-benzofuran

C32H22O — CID 22457278

IUPAC1,3,5,6-tetraphenyl-2-benzofuran
SMILESc1ccc(-c2cc3c(-c4ccccc4)oc(-c4ccccc4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C32H22O/c1-5-13-23(14-6-1)27-21-29-30(22-28(27)24-15-7-2-8-16-24)32(26-19-11-4-12-20-26)33-31(29)25-17-9-3-10-18-25/h1-22H
InChIKeyXEPLAIYZZPDJQT-UHFFFAOYSA-N
MW422.53 g/mol
LogP9.10
Rot. Bonds4

About 1,3,5,6-tetraphenyl-2-benzofuran

1,3,5,6-tetraphenyl-2-benzofuran (PubChem CID 22457278) has the molecular formula C32H22O and a molecular weight of 422.53 g/mol. Its IUPAC name is 1,3,5,6-tetraphenyl-2-benzofuran.

Molecular Properties

Compound Name1,3,5,6-tetraphenyl-2-benzofuran
PubChem CID22457278
Molecular FormulaC32H22O
Molecular Weight422.53 g/mol
Exact Mass422.17
IUPAC Name1,3,5,6-tetraphenyl-2-benzofuran
SMILESc1ccc(-c2cc3c(-c4ccccc4)oc(-c4ccccc4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C32H22O/c1-5-13-23(14-6-1)27-21-29-30(22-28(27)24-15-7-2-8-16-24)32(26-19-11-4-12-20-26)33-31(29)25-17-9-3-10-18-25/h1-22H
InChIKeyXEPLAIYZZPDJQT-UHFFFAOYSA-N
XLogP9.10
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,6-tetraphenyl-2-benzofuran?
The IUPAC name of 1,3,5,6-tetraphenyl-2-benzofuran (CID 22457278) is 1,3,5,6-tetraphenyl-2-benzofuran.
What is the SMILES notation for 1,3,5,6-tetraphenyl-2-benzofuran?
The canonical SMILES for 1,3,5,6-tetraphenyl-2-benzofuran is c1ccc(-c2cc3c(-c4ccccc4)oc(-c4ccccc4)c3cc2-c2ccccc2)cc1.
What is the InChIKey of 1,3,5,6-tetraphenyl-2-benzofuran?
The InChIKey is XEPLAIYZZPDJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O/c1-5-13-23(14-6-1)27-21-29-30(22-28(27)24-15-7-2-8-16-24)32(26-19-11-4-12-20-26)33-31(29)25-17-9-3-10-18-25/h1-22H.
What are the key properties of 1,3,5,6-tetraphenyl-2-benzofuran?
1,3,5,6-tetraphenyl-2-benzofuran has a molecular weight of 422.53 g/mol, XLogP of 9.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,6-tetraphenyl-2-benzofuran is sourced from PubChem (CID 22457278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).