2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine

C27H17NO — CID 171576906

IUPAC2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine
SMILESc1ccc2cc(-c3ccc(-c4cccc5c4oc4ccccc45)nc3)ccc2c1
InChIInChI=1S/C27H17NO/c1-2-7-19-16-20(13-12-18(19)6-1)21-14-15-25(28-17-21)24-10-5-9-23-22-8-3-4-11-26(22)29-27(23)24/h1-17H
InChIKeyOWYNJZPRUGOXOZ-UHFFFAOYSA-N
MW371.44 g/mol
LogP7.47
Rot. Bonds2

About 2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine

2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine (PubChem CID 171576906) has the molecular formula C27H17NO and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine
PubChem CID171576906
Molecular FormulaC27H17NO
Molecular Weight371.44 g/mol
Exact Mass371.13
IUPAC Name2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine
SMILESc1ccc2cc(-c3ccc(-c4cccc5c4oc4ccccc45)nc3)ccc2c1
InChIInChI=1S/C27H17NO/c1-2-7-19-16-20(13-12-18(19)6-1)21-14-15-25(28-17-21)24-10-5-9-23-22-8-3-4-11-26(22)29-27(23)24/h1-17H
InChIKeyOWYNJZPRUGOXOZ-UHFFFAOYSA-N
XLogP7.47
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine?
The IUPAC name of 2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine (CID 171576906) is 2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine.
What is the SMILES notation for 2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine?
The canonical SMILES for 2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine is c1ccc2cc(-c3ccc(-c4cccc5c4oc4ccccc45)nc3)ccc2c1.
What is the InChIKey of 2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine?
The InChIKey is OWYNJZPRUGOXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17NO/c1-2-7-19-16-20(13-12-18(19)6-1)21-14-15-25(28-17-21)24-10-5-9-23-22-8-3-4-11-26(22)29-27(23)24/h1-17H.
What are the key properties of 2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine?
2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine has a molecular weight of 371.44 g/mol, XLogP of 7.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine is sourced from PubChem (CID 171576906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).