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

C24H26N3O3P — CID 14953667

IUPAC1-(3-diphenylphosphanylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CCCP(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C24H26N3O3P/c1-3-16-25-22(28)26(17-4-2)24(30)27(23(25)29)18-11-19-31(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h3-10,12-15H,1-2,11,16-19H2
InChIKeyRTHPWHCFMIKUQY-UHFFFAOYSA-N
MW435.46 g/mol
LogP2.07
Rot. Bonds10

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

1-(3-diphenylphosphanylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 14953667) has the molecular formula C24H26N3O3P and a molecular weight of 435.46 g/mol. Its IUPAC name is 1-(3-diphenylphosphanylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(3-diphenylphosphanylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID14953667
Molecular FormulaC24H26N3O3P
Molecular Weight435.46 g/mol
Exact Mass435.17
IUPAC Name1-(3-diphenylphosphanylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CCCP(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C24H26N3O3P/c1-3-16-25-22(28)26(17-4-2)24(30)27(23(25)29)18-11-19-31(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h3-10,12-15H,1-2,11,16-19H2
InChIKeyRTHPWHCFMIKUQY-UHFFFAOYSA-N
XLogP2.07
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(diphenylphosphoryl)-1,3-dimethyldihydro-2,4(1H,3H)-pyrimidinedione
CID 2828354
1,3,5-Tris(3-(diphenylphosphoryl)propyl)-1,3,5-triazinane-2,4,6-trione
CID 129855569
1-[[Phenyl-[[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]methyl]phosphoryl]methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 3839026
1-{[(Chloromethyl)(phenyl)phosphoryl]methyl}-3,5-di(prop-2-en-1-yl)-1,3,5-triazinane-2,4,6-trione
CID 3892982
1-(3-Diphenylphosphorylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 14953670
1,3-bis[(E)-3-phenylprop-2-enyl]-5-[(2E,4E)-4-[(Z)-prop-1-enyl]hepta-2,4,6-trienyl]-1,3,5-triazinane-2,4,6-trione
CID 143918006
CID 153322083
CID 153322083
1,3-Bis(prop-2-enyl)-5-(triphenylsilylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 153322113
(6S)-6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 694554
(6R)-6-diphenylphosphoryl-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 694557
1-[[Chloromethyl(phenyl)phosphoryl]methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 11894537
1-[[Chloromethyl(phenyl)phosphoryl]methyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 11894538

Frequently Asked Questions

What is the IUPAC name of 1-(3-diphenylphosphanylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(3-diphenylphosphanylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 14953667) is 1-(3-diphenylphosphanylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(3-diphenylphosphanylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(3-diphenylphosphanylpropyl)-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(c2ccccc2)c2ccccc2)c1=O.
What is the InChIKey of 1-(3-diphenylphosphanylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is RTHPWHCFMIKUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N3O3P/c1-3-16-25-22(28)26(17-4-2)24(30)27(23(25)29)18-11-19-31(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-diphenylphosphanylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
1-(3-diphenylphosphanylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 435.46 g/mol, XLogP of 2.07, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-diphenylphosphanylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 14953667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).