1,9-dipyridin-2-ylphenalen-1-ol

C23H16N2O — CID 46907260

IUPAC1,9-dipyridin-2-ylphenalen-1-ol
SMILESOC1(c2ccccn2)C=Cc2cccc3ccc(-c4ccccn4)c1c23
InChIInChI=1S/C23H16N2O/c26-23(20-9-2-4-15-25-20)13-12-17-7-5-6-16-10-11-18(22(23)21(16)17)19-8-1-3-14-24-19/h1-15,26H
InChIKeyIATPYCGIQSQCHE-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.56
Rot. Bonds2

About 1,9-dipyridin-2-ylphenalen-1-ol

1,9-dipyridin-2-ylphenalen-1-ol (PubChem CID 46907260) has the molecular formula C23H16N2O and a molecular weight of 336.39 g/mol. Its IUPAC name is 1,9-dipyridin-2-ylphenalen-1-ol.

Molecular Properties

Compound Name1,9-dipyridin-2-ylphenalen-1-ol
PubChem CID46907260
Molecular FormulaC23H16N2O
Molecular Weight336.39 g/mol
Exact Mass336.13
IUPAC Name1,9-dipyridin-2-ylphenalen-1-ol
SMILESOC1(c2ccccn2)C=Cc2cccc3ccc(-c4ccccn4)c1c23
InChIInChI=1S/C23H16N2O/c26-23(20-9-2-4-15-25-20)13-12-17-7-5-6-16-10-11-18(22(23)21(16)17)19-8-1-3-14-24-19/h1-15,26H
InChIKeyIATPYCGIQSQCHE-UHFFFAOYSA-N
XLogP4.56
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,9-dipyridin-2-ylphenalen-1-ol?
The IUPAC name of 1,9-dipyridin-2-ylphenalen-1-ol (CID 46907260) is 1,9-dipyridin-2-ylphenalen-1-ol.
What is the SMILES notation for 1,9-dipyridin-2-ylphenalen-1-ol?
The canonical SMILES for 1,9-dipyridin-2-ylphenalen-1-ol is OC1(c2ccccn2)C=Cc2cccc3ccc(-c4ccccn4)c1c23.
What is the InChIKey of 1,9-dipyridin-2-ylphenalen-1-ol?
The InChIKey is IATPYCGIQSQCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O/c26-23(20-9-2-4-15-25-20)13-12-17-7-5-6-16-10-11-18(22(23)21(16)17)19-8-1-3-14-24-19/h1-15,26H.
What are the key properties of 1,9-dipyridin-2-ylphenalen-1-ol?
1,9-dipyridin-2-ylphenalen-1-ol has a molecular weight of 336.39 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dipyridin-2-ylphenalen-1-ol is sourced from PubChem (CID 46907260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).