1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione

C23H19N3O6 — CID 139434118

IUPAC1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione
SMILESCOc1cccc(-n2c(=O)[nH]c(=O)n(-c3ccc(Oc4ccccc4)c(OC)c3)c2=O)c1
InChIInChI=1S/C23H19N3O6/c1-30-18-10-6-7-15(13-18)25-21(27)24-22(28)26(23(25)29)16-11-12-19(20(14-16)31-2)32-17-8-4-3-5-9-17/h3-14H,1-2H3,(H,24,27,28)
InChIKeyHOIFRWNQFQOEEY-UHFFFAOYSA-N
MW433.42 g/mol
LogP2.49
Rot. Bonds6

About 1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione

1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 139434118) has the molecular formula C23H19N3O6 and a molecular weight of 433.42 g/mol. Its IUPAC name is 1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID139434118
Molecular FormulaC23H19N3O6
Molecular Weight433.42 g/mol
Exact Mass433.13
IUPAC Name1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione
SMILESCOc1cccc(-n2c(=O)[nH]c(=O)n(-c3ccc(Oc4ccccc4)c(OC)c3)c2=O)c1
InChIInChI=1S/C23H19N3O6/c1-30-18-10-6-7-15(13-18)25-21(27)24-22(28)26(23(25)29)16-11-12-19(20(14-16)31-2)32-17-8-4-3-5-9-17/h3-14H,1-2H3,(H,24,27,28)
InChIKeyHOIFRWNQFQOEEY-UHFFFAOYSA-N
XLogP2.49
TPSA104.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione (CID 139434118) is 1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione is COc1cccc(-n2c(=O)[nH]c(=O)n(-c3ccc(Oc4ccccc4)c(OC)c3)c2=O)c1.
What is the InChIKey of 1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is HOIFRWNQFQOEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O6/c1-30-18-10-6-7-15(13-18)25-21(27)24-22(28)26(23(25)29)16-11-12-19(20(14-16)31-2)32-17-8-4-3-5-9-17/h3-14H,1-2H3,(H,24,27,28).
What are the key properties of 1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione?
1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 433.42 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 139434118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).