1-(3-diphenylphosphorylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

C24H26N3O4P — CID 14953670

IUPAC1-(3-diphenylphosphorylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CCCP(=O)(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C24H26N3O4P/c1-3-16-25-22(28)26(17-4-2)24(30)27(23(25)29)18-11-19-32(31,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h3-10,12-15H,1-2,11,16-19H2
InChIKeySNMGAWABQAFPSX-UHFFFAOYSA-N
MW451.46 g/mol
LogP1.95
Rot. Bonds10

About 1-(3-diphenylphosphorylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

1-(3-diphenylphosphorylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 14953670) has the molecular formula C24H26N3O4P and a molecular weight of 451.46 g/mol. Its IUPAC name is 1-(3-diphenylphosphorylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(3-diphenylphosphorylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID14953670
Molecular FormulaC24H26N3O4P
Molecular Weight451.46 g/mol
Exact Mass451.17
IUPAC Name1-(3-diphenylphosphorylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CCCP(=O)(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C24H26N3O4P/c1-3-16-25-22(28)26(17-4-2)24(30)27(23(25)29)18-11-19-32(31,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h3-10,12-15H,1-2,11,16-19H2
InChIKeySNMGAWABQAFPSX-UHFFFAOYSA-N
XLogP1.95
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.46
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(3-diphenylphosphorylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-diphenylphosphorylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(3-diphenylphosphorylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 14953670) is 1-(3-diphenylphosphorylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(3-diphenylphosphorylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(3-diphenylphosphorylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is C=CCn1c(=O)n(CC=C)c(=O)n(CCCP(=O)(c2ccccc2)c2ccccc2)c1=O.
What is the InChIKey of 1-(3-diphenylphosphorylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is SNMGAWABQAFPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N3O4P/c1-3-16-25-22(28)26(17-4-2)24(30)27(23(25)29)18-11-19-32(31,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h3-10,12-15H,1-2,11,16-19H2.
What are the key properties of 1-(3-diphenylphosphorylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
1-(3-diphenylphosphorylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 451.46 g/mol, XLogP of 1.95, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-diphenylphosphorylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 14953670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).