3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]benzaldehyde

C26H24N4O3 — CID 58175836

IUPAC3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]benzaldehyde
SMILESCOc1ccc(Nc2nc(Cc3cccc(C=O)c3)nc(Cc3cccc(OC)c3)n2)cc1
InChIInChI=1S/C26H24N4O3/c1-32-22-11-9-21(10-12-22)27-26-29-24(15-18-5-3-7-20(13-18)17-31)28-25(30-26)16-19-6-4-8-23(14-19)33-2/h3-14,17H,15-16H2,1-2H3,(H,27,28,29,30)
InChIKeyWXILOPOTZRFXNP-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.63
Rot. Bonds9

About 3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]benzaldehyde

3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]benzaldehyde (PubChem CID 58175836) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]benzaldehyde.

Molecular Properties

Compound Name3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]benzaldehyde
PubChem CID58175836
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]benzaldehyde
SMILESCOc1ccc(Nc2nc(Cc3cccc(C=O)c3)nc(Cc3cccc(OC)c3)n2)cc1
InChIInChI=1S/C26H24N4O3/c1-32-22-11-9-21(10-12-22)27-26-29-24(15-18-5-3-7-20(13-18)17-31)28-25(30-26)16-19-6-4-8-23(14-19)33-2/h3-14,17H,15-16H2,1-2H3,(H,27,28,29,30)
InChIKeyWXILOPOTZRFXNP-UHFFFAOYSA-N
XLogP4.63
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4,6-bis[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 123556531
6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 58321884
6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;6-[(4-methylphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;2-N-(4-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine;2-N,4-N,6-N-tris(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 159663695
[4-[[4-anilino-6-[[3-[[4-anilino-6-[(4-prop-2-enoyloxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]phenyl]methyl]-1,3,5-triazin-2-yl]methyl]phenyl] prop-2-enoate
CID 159380757
N-(4-bromophenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
CID 58090749
N-(4-ethylphenyl)-4,6-bis[(3-methylphenyl)methyl]-1,3,5-triazin-2-amine
CID 58090680
4,6-dibenzyl-N-(2,3-dimethylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2,6-dimethylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(2-methylphenyl)-1,3,5-triazin-2-amine;4,6-dibenzyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine;N-(4-methoxyphenyl)-4,6-bis[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine
CID 161217838
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182
benzaldehyde;2-(3-methoxyphenyl)ethanamine
CID 89401887
2-[(3-formylphenyl)methyl-[(4-methoxyphenyl)methyl]amino]-N-hydroxyacetamide
CID 166776144
N-(3-formylphenyl)-2-(4-methoxyphenyl)acetamide
CID 106912590

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]benzaldehyde?
The IUPAC name of 3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]benzaldehyde (CID 58175836) is 3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]benzaldehyde.
What is the SMILES notation for 3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]benzaldehyde?
The canonical SMILES for 3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]benzaldehyde is COc1ccc(Nc2nc(Cc3cccc(C=O)c3)nc(Cc3cccc(OC)c3)n2)cc1.
What is the InChIKey of 3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]benzaldehyde?
The InChIKey is WXILOPOTZRFXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-32-22-11-9-21(10-12-22)27-26-29-24(15-18-5-3-7-20(13-18)17-31)28-25(30-26)16-19-6-4-8-23(14-19)33-2/h3-14,17H,15-16H2,1-2H3,(H,27,28,29,30).
What are the key properties of 3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]benzaldehyde?
3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]benzaldehyde has a molecular weight of 440.50 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-methoxyanilino)-6-[(3-methoxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]benzaldehyde is sourced from PubChem (CID 58175836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).