1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione

C30H27N3O3 — CID 58273416

IUPAC1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(C/C=C/c2ccccc2)c(=O)n(C/C=C/c2ccccc2)c(=O)n1C/C=C/c1ccccc1
InChIInChI=1S/C30H27N3O3/c34-28-31(22-10-19-25-13-4-1-5-14-25)29(35)33(24-12-21-27-17-8-3-9-18-27)30(36)32(28)23-11-20-26-15-6-2-7-16-26/h1-21H,22-24H2/b19-10+,20-11+,21-12+
InChIKeyGTKNJXQIYBVJGL-AUCPOXKISA-N
MW477.56 g/mol
LogP4.31
Rot. Bonds9

About 1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione

1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 58273416) has the molecular formula C30H27N3O3 and a molecular weight of 477.56 g/mol. Its IUPAC name is 1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID58273416
Molecular FormulaC30H27N3O3
Molecular Weight477.56 g/mol
Exact Mass477.21
IUPAC Name1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione
SMILESO=c1n(C/C=C/c2ccccc2)c(=O)n(C/C=C/c2ccccc2)c(=O)n1C/C=C/c1ccccc1
InChIInChI=1S/C30H27N3O3/c34-28-31(22-10-19-25-13-4-1-5-14-25)29(35)33(24-12-21-27-17-8-3-9-18-27)30(36)32(28)23-11-20-26-15-6-2-7-16-26/h1-21H,22-24H2/b19-10+,20-11+,21-12+
InChIKeyGTKNJXQIYBVJGL-AUCPOXKISA-N
XLogP4.31
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione (CID 58273416) is 1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione is O=c1n(C/C=C/c2ccccc2)c(=O)n(C/C=C/c2ccccc2)c(=O)n1C/C=C/c1ccccc1.
What is the InChIKey of 1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is GTKNJXQIYBVJGL-AUCPOXKISA-N. The full InChI is InChI=1S/C30H27N3O3/c34-28-31(22-10-19-25-13-4-1-5-14-25)29(35)33(24-12-21-27-17-8-3-9-18-27)30(36)32(28)23-11-20-26-15-6-2-7-16-26/h1-21H,22-24H2/b19-10+,20-11+,21-12+.
What are the key properties of 1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione?
1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 477.56 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 58273416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).