1-[4-[[4-(4-acetylphenoxy)-6-phenoxy-1,3,5-triazin-2-yl]oxy]phenyl]ethanone

C25H19N3O5 — CID 162501082

IUPAC1-[4-[[4-(4-acetylphenoxy)-6-phenoxy-1,3,5-triazin-2-yl]oxy]phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2nc(Oc3ccccc3)nc(Oc3ccc(C(C)=O)cc3)n2)cc1
InChIInChI=1S/C25H19N3O5/c1-16(29)18-8-12-21(13-9-18)32-24-26-23(31-20-6-4-3-5-7-20)27-25(28-24)33-22-14-10-19(11-15-22)17(2)30/h3-15H,1-2H3
InChIKeySKHGRXXKWIPWAR-UHFFFAOYSA-N
MW441.44 g/mol
LogP5.65
Rot. Bonds8

About 1-[4-[[4-(4-acetylphenoxy)-6-phenoxy-1,3,5-triazin-2-yl]oxy]phenyl]ethanone

1-[4-[[4-(4-acetylphenoxy)-6-phenoxy-1,3,5-triazin-2-yl]oxy]phenyl]ethanone (PubChem CID 162501082) has the molecular formula C25H19N3O5 and a molecular weight of 441.44 g/mol. Its IUPAC name is 1-[4-[[4-(4-acetylphenoxy)-6-phenoxy-1,3,5-triazin-2-yl]oxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-(4-acetylphenoxy)-6-phenoxy-1,3,5-triazin-2-yl]oxy]phenyl]ethanone
PubChem CID162501082
Molecular FormulaC25H19N3O5
Molecular Weight441.44 g/mol
Exact Mass441.13
IUPAC Name1-[4-[[4-(4-acetylphenoxy)-6-phenoxy-1,3,5-triazin-2-yl]oxy]phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2nc(Oc3ccccc3)nc(Oc3ccc(C(C)=O)cc3)n2)cc1
InChIInChI=1S/C25H19N3O5/c1-16(29)18-8-12-21(13-9-18)32-24-26-23(31-20-6-4-3-5-7-20)27-25(28-24)33-22-14-10-19(11-15-22)17(2)30/h3-15H,1-2H3
InChIKeySKHGRXXKWIPWAR-UHFFFAOYSA-N
XLogP5.65
TPSA100.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.44
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Benzoic acid, 4,4'-[(6-methoxy-1,3,5-triazine-2,4-diyl)bis(oxy)]bis-
CID 1922350
Methyl 4-{[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}benzoate
CID 694915
2,4,6-Tris-(4-methylphenoxy)-1,3,5-triazine
CID 12757373
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-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-(2,4-dichlorophenyl)prop-2-enoyl]phenoxy]-1,3,5-triazin-2-yl]oxy]phenyl]-3-(2,4-dichlorophenyl)prop-2-en-1-one
CID 172454380
(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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(4-acetylphenoxy)-6-phenoxy-1,3,5-triazin-2-yl]oxy]phenyl]ethanone?
The IUPAC name of 1-[4-[[4-(4-acetylphenoxy)-6-phenoxy-1,3,5-triazin-2-yl]oxy]phenyl]ethanone (CID 162501082) is 1-[4-[[4-(4-acetylphenoxy)-6-phenoxy-1,3,5-triazin-2-yl]oxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[4-(4-acetylphenoxy)-6-phenoxy-1,3,5-triazin-2-yl]oxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[[4-(4-acetylphenoxy)-6-phenoxy-1,3,5-triazin-2-yl]oxy]phenyl]ethanone is CC(=O)c1ccc(Oc2nc(Oc3ccccc3)nc(Oc3ccc(C(C)=O)cc3)n2)cc1.
What is the InChIKey of 1-[4-[[4-(4-acetylphenoxy)-6-phenoxy-1,3,5-triazin-2-yl]oxy]phenyl]ethanone?
The InChIKey is SKHGRXXKWIPWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O5/c1-16(29)18-8-12-21(13-9-18)32-24-26-23(31-20-6-4-3-5-7-20)27-25(28-24)33-22-14-10-19(11-15-22)17(2)30/h3-15H,1-2H3.
What are the key properties of 1-[4-[[4-(4-acetylphenoxy)-6-phenoxy-1,3,5-triazin-2-yl]oxy]phenyl]ethanone?
1-[4-[[4-(4-acetylphenoxy)-6-phenoxy-1,3,5-triazin-2-yl]oxy]phenyl]ethanone has a molecular weight of 441.44 g/mol, XLogP of 5.65, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(4-acetylphenoxy)-6-phenoxy-1,3,5-triazin-2-yl]oxy]phenyl]ethanone is sourced from PubChem (CID 162501082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).