1,6-diphenyldibenzofuran

C24H16O — CID 145331756

IUPAC1,6-diphenyldibenzofuran
SMILESc1ccc(-c2cccc3c2oc2cccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C24H16O/c1-3-9-17(10-4-1)19-13-8-16-22-23(19)21-15-7-14-20(24(21)25-22)18-11-5-2-6-12-18/h1-16H
InChIKeyIHEUYUDMOCZHIU-UHFFFAOYSA-N
MW320.39 g/mol
LogP6.92
Rot. Bonds2

About 1,6-diphenyldibenzofuran

1,6-diphenyldibenzofuran (PubChem CID 145331756) has the molecular formula C24H16O and a molecular weight of 320.39 g/mol. Its IUPAC name is 1,6-diphenyldibenzofuran.

Molecular Properties

Compound Name1,6-diphenyldibenzofuran
PubChem CID145331756
Molecular FormulaC24H16O
Molecular Weight320.39 g/mol
Exact Mass320.12
IUPAC Name1,6-diphenyldibenzofuran
SMILESc1ccc(-c2cccc3c2oc2cccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C24H16O/c1-3-9-17(10-4-1)19-13-8-16-22-23(19)21-15-7-14-20(24(21)25-22)18-11-5-2-6-12-18/h1-16H
InChIKeyIHEUYUDMOCZHIU-UHFFFAOYSA-N
XLogP6.92
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,6-diphenyldibenzofuran?
The IUPAC name of 1,6-diphenyldibenzofuran (CID 145331756) is 1,6-diphenyldibenzofuran.
What is the SMILES notation for 1,6-diphenyldibenzofuran?
The canonical SMILES for 1,6-diphenyldibenzofuran is c1ccc(-c2cccc3c2oc2cccc(-c4ccccc4)c23)cc1.
What is the InChIKey of 1,6-diphenyldibenzofuran?
The InChIKey is IHEUYUDMOCZHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16O/c1-3-9-17(10-4-1)19-13-8-16-22-23(19)21-15-7-14-20(24(21)25-22)18-11-5-2-6-12-18/h1-16H.
What are the key properties of 1,6-diphenyldibenzofuran?
1,6-diphenyldibenzofuran has a molecular weight of 320.39 g/mol, XLogP of 6.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diphenyldibenzofuran is sourced from PubChem (CID 145331756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).