3-[[4,6-bis(3-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde

C24H15N3O6 — CID 14044295

IUPAC3-[[4,6-bis(3-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde
SMILESO=Cc1cccc(Oc2nc(Oc3cccc(C=O)c3)nc(Oc3cccc(C=O)c3)n2)c1
InChIInChI=1S/C24H15N3O6/c28-13-16-4-1-7-19(10-16)31-22-25-23(32-20-8-2-5-17(11-20)14-29)27-24(26-22)33-21-9-3-6-18(12-21)15-30/h1-15H
InChIKeyYECALBKGKDLPBR-UHFFFAOYSA-N
MW441.40 g/mol
LogP4.69
Rot. Bonds9

About 3-[[4,6-bis(3-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde

3-[[4,6-bis(3-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde (PubChem CID 14044295) has the molecular formula C24H15N3O6 and a molecular weight of 441.40 g/mol. Its IUPAC name is 3-[[4,6-bis(3-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde.

Molecular Properties

Compound Name3-[[4,6-bis(3-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde
PubChem CID14044295
Molecular FormulaC24H15N3O6
Molecular Weight441.40 g/mol
Exact Mass441.10
IUPAC Name3-[[4,6-bis(3-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde
SMILESO=Cc1cccc(Oc2nc(Oc3cccc(C=O)c3)nc(Oc3cccc(C=O)c3)n2)c1
InChIInChI=1S/C24H15N3O6/c28-13-16-4-1-7-19(10-16)31-22-25-23(32-20-8-2-5-17(11-20)14-29)27-24(26-22)33-21-9-3-6-18(12-21)15-30/h1-15H
InChIKeyYECALBKGKDLPBR-UHFFFAOYSA-N
XLogP4.69
TPSA117.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.40
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[4,6-bis(3-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde?
The IUPAC name of 3-[[4,6-bis(3-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde (CID 14044295) is 3-[[4,6-bis(3-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde.
What is the SMILES notation for 3-[[4,6-bis(3-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde?
The canonical SMILES for 3-[[4,6-bis(3-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde is O=Cc1cccc(Oc2nc(Oc3cccc(C=O)c3)nc(Oc3cccc(C=O)c3)n2)c1.
What is the InChIKey of 3-[[4,6-bis(3-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde?
The InChIKey is YECALBKGKDLPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3O6/c28-13-16-4-1-7-19(10-16)31-22-25-23(32-20-8-2-5-17(11-20)14-29)27-24(26-22)33-21-9-3-6-18(12-21)15-30/h1-15H.
What are the key properties of 3-[[4,6-bis(3-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde?
3-[[4,6-bis(3-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde has a molecular weight of 441.40 g/mol, XLogP of 4.69, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4,6-bis(3-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde is sourced from PubChem (CID 14044295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).