3-(4-pyridin-4-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol

C23H16N2O — CID 122183829

IUPAC3-(4-pyridin-4-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol
SMILESOc1cccc(-c2cc(-c3ccncc3)c3c(n2)-c2ccccc2C3)c1
InChIInChI=1S/C23H16N2O/c26-18-6-3-5-17(12-18)22-14-20(15-8-10-24-11-9-15)21-13-16-4-1-2-7-19(16)23(21)25-22/h1-12,14,26H,13H2
InChIKeyZNTULFKKZGBPRN-UHFFFAOYSA-N
MW336.39 g/mol
LogP5.09
Rot. Bonds2

About 3-(4-pyridin-4-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol

3-(4-pyridin-4-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol (PubChem CID 122183829) has the molecular formula C23H16N2O and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-(4-pyridin-4-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol.

Molecular Properties

Compound Name3-(4-pyridin-4-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol
PubChem CID122183829
Molecular FormulaC23H16N2O
Molecular Weight336.39 g/mol
Exact Mass336.13
IUPAC Name3-(4-pyridin-4-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol
SMILESOc1cccc(-c2cc(-c3ccncc3)c3c(n2)-c2ccccc2C3)c1
InChIInChI=1S/C23H16N2O/c26-18-6-3-5-17(12-18)22-14-20(15-8-10-24-11-9-15)21-13-16-4-1-2-7-19(16)23(21)25-22/h1-12,14,26H,13H2
InChIKeyZNTULFKKZGBPRN-UHFFFAOYSA-N
XLogP5.09
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-4-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol?
The IUPAC name of 3-(4-pyridin-4-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol (CID 122183829) is 3-(4-pyridin-4-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol.
What is the SMILES notation for 3-(4-pyridin-4-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol?
The canonical SMILES for 3-(4-pyridin-4-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol is Oc1cccc(-c2cc(-c3ccncc3)c3c(n2)-c2ccccc2C3)c1.
What is the InChIKey of 3-(4-pyridin-4-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol?
The InChIKey is ZNTULFKKZGBPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O/c26-18-6-3-5-17(12-18)22-14-20(15-8-10-24-11-9-15)21-13-16-4-1-2-7-19(16)23(21)25-22/h1-12,14,26H,13H2.
What are the key properties of 3-(4-pyridin-4-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol?
3-(4-pyridin-4-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol has a molecular weight of 336.39 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-4-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol is sourced from PubChem (CID 122183829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).