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

C26H30N3O3P — CID 15848108

IUPAC1-(5-diphenylphosphanylpentyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CCCCCP(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C26H30N3O3P/c1-3-18-27-24(30)28(19-4-2)26(32)29(25(27)31)20-12-7-13-21-33(22-14-8-5-9-15-22)23-16-10-6-11-17-23/h3-6,8-11,14-17H,1-2,7,12-13,18-21H2
InChIKeyGIZPBFIWMSOTLQ-UHFFFAOYSA-N
MW463.52 g/mol
LogP2.85
Rot. Bonds12

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

1-(5-diphenylphosphanylpentyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 15848108) has the molecular formula C26H30N3O3P and a molecular weight of 463.52 g/mol. Its IUPAC name is 1-(5-diphenylphosphanylpentyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(5-diphenylphosphanylpentyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID15848108
Molecular FormulaC26H30N3O3P
Molecular Weight463.52 g/mol
Exact Mass463.20
IUPAC Name1-(5-diphenylphosphanylpentyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CCCCCP(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C26H30N3O3P/c1-3-18-27-24(30)28(19-4-2)26(32)29(25(27)31)20-12-7-13-21-33(22-14-8-5-9-15-22)23-16-10-6-11-17-23/h3-6,8-11,14-17H,1-2,7,12-13,18-21H2
InChIKeyGIZPBFIWMSOTLQ-UHFFFAOYSA-N
XLogP2.85
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-Diallyl-5-[3-(diphenylphosphino)propyl]-1,3,5-triazine-2,4,6(1h,3h,5h)-trione
CID 14953667
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
CID 153322083
CID 153322083
(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
1-(2-Diphenylphosphanylethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 15848106
1-(4-Diphenylphosphanylbutyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 15848107

Frequently Asked Questions

What is the IUPAC name of 1-(5-diphenylphosphanylpentyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(5-diphenylphosphanylpentyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 15848108) is 1-(5-diphenylphosphanylpentyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(5-diphenylphosphanylpentyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(5-diphenylphosphanylpentyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is C=CCn1c(=O)n(CC=C)c(=O)n(CCCCCP(c2ccccc2)c2ccccc2)c1=O.
What is the InChIKey of 1-(5-diphenylphosphanylpentyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is GIZPBFIWMSOTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N3O3P/c1-3-18-27-24(30)28(19-4-2)26(32)29(25(27)31)20-12-7-13-21-33(22-14-8-5-9-15-22)23-16-10-6-11-17-23/h3-6,8-11,14-17H,1-2,7,12-13,18-21H2.
What are the key properties of 1-(5-diphenylphosphanylpentyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
1-(5-diphenylphosphanylpentyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 463.52 g/mol, XLogP of 2.85, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-diphenylphosphanylpentyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 15848108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).