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

C24H15N3O6 — CID 11744003

IUPAC4-[[4,6-bis(4-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde
SMILESO=Cc1ccc(Oc2nc(Oc3ccc(C=O)cc3)nc(Oc3ccc(C=O)cc3)n2)cc1
InChIInChI=1S/C24H15N3O6/c28-13-16-1-7-19(8-2-16)31-22-25-23(32-20-9-3-17(14-29)4-10-20)27-24(26-22)33-21-11-5-18(15-30)6-12-21/h1-15H
InChIKeyYNLBSRHGIHAPAE-UHFFFAOYSA-N
MW441.40 g/mol
LogP4.69
Rot. Bonds9

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

4-[[4,6-bis(4-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde (PubChem CID 11744003) has the molecular formula C24H15N3O6 and a molecular weight of 441.40 g/mol. Its IUPAC name is 4-[[4,6-bis(4-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde.

Molecular Properties

Compound Name4-[[4,6-bis(4-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde
PubChem CID11744003
Molecular FormulaC24H15N3O6
Molecular Weight441.40 g/mol
Exact Mass441.10
IUPAC Name4-[[4,6-bis(4-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde
SMILESO=Cc1ccc(Oc2nc(Oc3ccc(C=O)cc3)nc(Oc3ccc(C=O)cc3)n2)cc1
InChIInChI=1S/C24H15N3O6/c28-13-16-1-7-19(8-2-16)31-22-25-23(32-20-9-3-17(14-29)4-10-20)27-24(26-22)33-21-11-5-18(15-30)6-12-21/h1-15H
InChIKeyYNLBSRHGIHAPAE-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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Related Compounds

Benzoic acid, 4,4'-[(6-methoxy-1,3,5-triazine-2,4-diyl)bis(oxy)]bis-
CID 1922350
1,1',1''-(((1,3,5-Triazine-2,4,6-triyl)tris(oxy))tris(benzene-4,1-diyl))tris(ethan-1-one)
CID 22764796
4-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-YL]oxy}benzaldehyde
CID 762184
4-{[4,6-Bis(dimethylamino)-1,3,5-triazin-2-YL]oxy}benzaldehyde
CID 762185
(E)-1-[4-[[4,6-bis[4-[(E)-3-phenylprop-2-enoyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-3-phenylprop-2-en-1-one
CID 172441146
(E)-1-[4-[[4,6-bis[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-3-(4-chlorophenyl)prop-2-en-1-one
CID 172443963
(E)-1-[4-[[4,6-bis[4-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-3-(4-methylphenyl)prop-2-en-1-one
CID 172459415
2-(4-Methoxybenzoyloxy)-4,6-dimethoxy-1,3,5-triazine
CID 14783084
3,3',3''-[1,3,5-Triazine-2,4,6-triyltris(oxy)]tribenzaldehyde
CID 14044295
4,4',4''-(1,3,5-Triazine-2,4,6-triyltris(oxy))tris(benzoic acid)
CID 15606988
Tri(4-formylphenoxy)cyanurate
CID 88920521
(p-Formylphenoxy)-1,3,5-triazine
CID 138455232

Frequently Asked Questions

What is the IUPAC name of 4-[[4,6-bis(4-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde?
The IUPAC name of 4-[[4,6-bis(4-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde (CID 11744003) is 4-[[4,6-bis(4-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde.
What is the SMILES notation for 4-[[4,6-bis(4-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde?
The canonical SMILES for 4-[[4,6-bis(4-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde is O=Cc1ccc(Oc2nc(Oc3ccc(C=O)cc3)nc(Oc3ccc(C=O)cc3)n2)cc1.
What is the InChIKey of 4-[[4,6-bis(4-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde?
The InChIKey is YNLBSRHGIHAPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3O6/c28-13-16-1-7-19(8-2-16)31-22-25-23(32-20-9-3-17(14-29)4-10-20)27-24(26-22)33-21-11-5-18(15-30)6-12-21/h1-15H.
What are the key properties of 4-[[4,6-bis(4-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde?
4-[[4,6-bis(4-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 4-[[4,6-bis(4-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde is sourced from PubChem (CID 11744003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).