4-phenoxy-2-(4-phenoxy-2-pyridinyl)pyridine

C22H16N2O2 — CID 21259177

IUPAC4-phenoxy-2-(4-phenoxy-2-pyridinyl)pyridine
SMILESc1ccc(Oc2ccnc(-c3cc(Oc4ccccc4)ccn3)c2)cc1
InChIInChI=1S/C22H16N2O2/c1-3-7-17(8-4-1)25-19-11-13-23-21(15-19)22-16-20(12-14-24-22)26-18-9-5-2-6-10-18/h1-16H
InChIKeyKFCVPSMCQZRZAL-UHFFFAOYSA-N
MW340.38 g/mol
LogP5.73
Rot. Bonds5

About 4-phenoxy-2-(4-phenoxy-2-pyridinyl)pyridine

4-phenoxy-2-(4-phenoxy-2-pyridinyl)pyridine (PubChem CID 21259177) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-phenoxy-2-(4-phenoxy-2-pyridinyl)pyridine.

Molecular Properties

Compound Name4-phenoxy-2-(4-phenoxy-2-pyridinyl)pyridine
PubChem CID21259177
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name4-phenoxy-2-(4-phenoxy-2-pyridinyl)pyridine
SMILESc1ccc(Oc2ccnc(-c3cc(Oc4ccccc4)ccn3)c2)cc1
InChIInChI=1S/C22H16N2O2/c1-3-7-17(8-4-1)25-19-11-13-23-21(15-19)22-16-20(12-14-24-22)26-18-9-5-2-6-10-18/h1-16H
InChIKeyKFCVPSMCQZRZAL-UHFFFAOYSA-N
XLogP5.73
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-2-(4-phenoxy-2-pyridinyl)pyridine?
The IUPAC name of 4-phenoxy-2-(4-phenoxy-2-pyridinyl)pyridine (CID 21259177) is 4-phenoxy-2-(4-phenoxy-2-pyridinyl)pyridine.
What is the SMILES notation for 4-phenoxy-2-(4-phenoxy-2-pyridinyl)pyridine?
The canonical SMILES for 4-phenoxy-2-(4-phenoxy-2-pyridinyl)pyridine is c1ccc(Oc2ccnc(-c3cc(Oc4ccccc4)ccn3)c2)cc1.
What is the InChIKey of 4-phenoxy-2-(4-phenoxy-2-pyridinyl)pyridine?
The InChIKey is KFCVPSMCQZRZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c1-3-7-17(8-4-1)25-19-11-13-23-21(15-19)22-16-20(12-14-24-22)26-18-9-5-2-6-10-18/h1-16H.
What are the key properties of 4-phenoxy-2-(4-phenoxy-2-pyridinyl)pyridine?
4-phenoxy-2-(4-phenoxy-2-pyridinyl)pyridine has a molecular weight of 340.38 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-2-(4-phenoxy-2-pyridinyl)pyridine is sourced from PubChem (CID 21259177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).