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

C24H17N3O6 — CID 165374389

IUPAC4-[[4-(4-formylphenoxy)-6-(4-methoxyphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde
SMILESCOc1ccc(Oc2nc(Oc3ccc(C=O)cc3)nc(Oc3ccc(C=O)cc3)n2)cc1
InChIInChI=1S/C24H17N3O6/c1-30-18-10-12-21(13-11-18)33-24-26-22(31-19-6-2-16(14-28)3-7-19)25-23(27-24)32-20-8-4-17(15-29)5-9-20/h2-15H,1H3
InChIKeyCBCKZNUKXHBHGY-UHFFFAOYSA-N
MW443.42 g/mol
LogP4.88
Rot. Bonds9

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

4-[[4-(4-formylphenoxy)-6-(4-methoxyphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde (PubChem CID 165374389) has the molecular formula C24H17N3O6 and a molecular weight of 443.42 g/mol. Its IUPAC name is 4-[[4-(4-formylphenoxy)-6-(4-methoxyphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde.

Molecular Properties

Compound Name4-[[4-(4-formylphenoxy)-6-(4-methoxyphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde
PubChem CID165374389
Molecular FormulaC24H17N3O6
Molecular Weight443.42 g/mol
Exact Mass443.11
IUPAC Name4-[[4-(4-formylphenoxy)-6-(4-methoxyphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde
SMILESCOc1ccc(Oc2nc(Oc3ccc(C=O)cc3)nc(Oc3ccc(C=O)cc3)n2)cc1
InChIInChI=1S/C24H17N3O6/c1-30-18-10-12-21(13-11-18)33-24-26-22(31-19-6-2-16(14-28)3-7-19)25-23(27-24)32-20-8-4-17(15-29)5-9-20/h2-15H,1H3
InChIKeyCBCKZNUKXHBHGY-UHFFFAOYSA-N
XLogP4.88
TPSA109.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.42
LogP ≤ 54.88
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(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-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
2,4,6-Tris(4-formylphenoxy)-1,3,5-triazine
CID 11744003
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
2,4,6-Tris-(2-methoxy-4-formyl-phenoxy)-1,3,5-triazine
CID 172636233

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-formylphenoxy)-6-(4-methoxyphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde?
The IUPAC name of 4-[[4-(4-formylphenoxy)-6-(4-methoxyphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde (CID 165374389) is 4-[[4-(4-formylphenoxy)-6-(4-methoxyphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde.
What is the SMILES notation for 4-[[4-(4-formylphenoxy)-6-(4-methoxyphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde?
The canonical SMILES for 4-[[4-(4-formylphenoxy)-6-(4-methoxyphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde is COc1ccc(Oc2nc(Oc3ccc(C=O)cc3)nc(Oc3ccc(C=O)cc3)n2)cc1.
What is the InChIKey of 4-[[4-(4-formylphenoxy)-6-(4-methoxyphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde?
The InChIKey is CBCKZNUKXHBHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O6/c1-30-18-10-12-21(13-11-18)33-24-26-22(31-19-6-2-16(14-28)3-7-19)25-23(27-24)32-20-8-4-17(15-29)5-9-20/h2-15H,1H3.
What are the key properties of 4-[[4-(4-formylphenoxy)-6-(4-methoxyphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde?
4-[[4-(4-formylphenoxy)-6-(4-methoxyphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde has a molecular weight of 443.42 g/mol, XLogP of 4.88, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-formylphenoxy)-6-(4-methoxyphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde is sourced from PubChem (CID 165374389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).