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

C23H17N3O4 — CID 155348072

IUPAC1-[4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C23H17N3O4/c1-16(27)17-12-14-20(15-13-17)30-23-25-21(28-18-8-4-2-5-9-18)24-22(26-23)29-19-10-6-3-7-11-19/h2-15H,1H3
InChIKeyMEVPWUWOGZHZAH-UHFFFAOYSA-N
MW399.41 g/mol
LogP5.45
Rot. Bonds7

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

1-[4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanone (PubChem CID 155348072) has the molecular formula C23H17N3O4 and a molecular weight of 399.41 g/mol. Its IUPAC name is 1-[4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanone
PubChem CID155348072
Molecular FormulaC23H17N3O4
Molecular Weight399.41 g/mol
Exact Mass399.12
IUPAC Name1-[4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C23H17N3O4/c1-16(27)17-12-14-20(15-13-17)30-23-25-21(28-18-8-4-2-5-9-18)24-22(26-23)29-19-10-6-3-7-11-19/h2-15H,1H3
InChIKeyMEVPWUWOGZHZAH-UHFFFAOYSA-N
XLogP5.45
TPSA83.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.41
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanone?
The IUPAC name of 1-[4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanone (CID 155348072) is 1-[4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanone is CC(=O)c1ccc(Oc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1.
What is the InChIKey of 1-[4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanone?
The InChIKey is MEVPWUWOGZHZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4/c1-16(27)17-12-14-20(15-13-17)30-23-25-21(28-18-8-4-2-5-9-18)24-22(26-23)29-19-10-6-3-7-11-19/h2-15H,1H3.
What are the key properties of 1-[4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanone?
1-[4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanone has a molecular weight of 399.41 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]phenyl]ethanone is sourced from PubChem (CID 155348072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).