4-(2,6-diphenylpyrimidin-4-yl)oxybenzaldehyde

C23H16N2O2 — CID 1082031

IUPAC4-(2,6-diphenylpyrimidin-4-yl)oxybenzaldehyde
SMILESO=Cc1ccc(Oc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H16N2O2/c26-16-17-11-13-20(14-12-17)27-22-15-21(18-7-3-1-4-8-18)24-23(25-22)19-9-5-2-6-10-19/h1-16H
InChIKeyLIFZPHDRVIMFLU-UHFFFAOYSA-N
MW352.39 g/mol
LogP5.42
Rot. Bonds5

About 4-(2,6-diphenylpyrimidin-4-yl)oxybenzaldehyde

4-(2,6-diphenylpyrimidin-4-yl)oxybenzaldehyde (PubChem CID 1082031) has the molecular formula C23H16N2O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-(2,6-diphenylpyrimidin-4-yl)oxybenzaldehyde.

Molecular Properties

Compound Name4-(2,6-diphenylpyrimidin-4-yl)oxybenzaldehyde
PubChem CID1082031
Molecular FormulaC23H16N2O2
Molecular Weight352.39 g/mol
Exact Mass352.12
IUPAC Name4-(2,6-diphenylpyrimidin-4-yl)oxybenzaldehyde
SMILESO=Cc1ccc(Oc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H16N2O2/c26-16-17-11-13-20(14-12-17)27-22-15-21(18-7-3-1-4-8-18)24-23(25-22)19-9-5-2-6-10-19/h1-16H
InChIKeyLIFZPHDRVIMFLU-UHFFFAOYSA-N
XLogP5.42
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.39
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-diphenylpyrimidin-4-yl)oxybenzaldehyde?
The IUPAC name of 4-(2,6-diphenylpyrimidin-4-yl)oxybenzaldehyde (CID 1082031) is 4-(2,6-diphenylpyrimidin-4-yl)oxybenzaldehyde.
What is the SMILES notation for 4-(2,6-diphenylpyrimidin-4-yl)oxybenzaldehyde?
The canonical SMILES for 4-(2,6-diphenylpyrimidin-4-yl)oxybenzaldehyde is O=Cc1ccc(Oc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(2,6-diphenylpyrimidin-4-yl)oxybenzaldehyde?
The InChIKey is LIFZPHDRVIMFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2/c26-16-17-11-13-20(14-12-17)27-22-15-21(18-7-3-1-4-8-18)24-23(25-22)19-9-5-2-6-10-19/h1-16H.
What are the key properties of 4-(2,6-diphenylpyrimidin-4-yl)oxybenzaldehyde?
4-(2,6-diphenylpyrimidin-4-yl)oxybenzaldehyde has a molecular weight of 352.39 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-diphenylpyrimidin-4-yl)oxybenzaldehyde is sourced from PubChem (CID 1082031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).