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

C27H32N3O3P — CID 15848109

IUPAC1-(6-diphenylphosphanylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CCCCCCP(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C27H32N3O3P/c1-3-19-28-25(31)29(20-4-2)27(33)30(26(28)32)21-13-5-6-14-22-34(23-15-9-7-10-16-23)24-17-11-8-12-18-24/h3-4,7-12,15-18H,1-2,5-6,13-14,19-22H2
InChIKeyFJZKACQEERKEIZ-UHFFFAOYSA-N
MW477.55 g/mol
LogP3.24
Rot. Bonds13

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

1-(6-diphenylphosphanylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 15848109) has the molecular formula C27H32N3O3P and a molecular weight of 477.55 g/mol. Its IUPAC name is 1-(6-diphenylphosphanylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(6-diphenylphosphanylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID15848109
Molecular FormulaC27H32N3O3P
Molecular Weight477.55 g/mol
Exact Mass477.22
IUPAC Name1-(6-diphenylphosphanylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CCCCCCP(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C27H32N3O3P/c1-3-19-28-25(31)29(20-4-2)27(33)30(26(28)32)21-13-5-6-14-22-34(23-15-9-7-10-16-23)24-17-11-8-12-18-24/h3-4,7-12,15-18H,1-2,5-6,13-14,19-22H2
InChIKeyFJZKACQEERKEIZ-UHFFFAOYSA-N
XLogP3.24
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 53.24
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-(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-(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
1-(5-Diphenylphosphanylpentyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 15848108
1-(10-Diphenylphosphanyldecyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 15848110
1-diphenylphosphanyl-N-hexyl-N-(hexylcarbamoyl)formamide
CID 177433281

Frequently Asked Questions

What is the IUPAC name of 1-(6-diphenylphosphanylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(6-diphenylphosphanylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 15848109) is 1-(6-diphenylphosphanylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(6-diphenylphosphanylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(6-diphenylphosphanylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is C=CCn1c(=O)n(CC=C)c(=O)n(CCCCCCP(c2ccccc2)c2ccccc2)c1=O.
What is the InChIKey of 1-(6-diphenylphosphanylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is FJZKACQEERKEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N3O3P/c1-3-19-28-25(31)29(20-4-2)27(33)30(26(28)32)21-13-5-6-14-22-34(23-15-9-7-10-16-23)24-17-11-8-12-18-24/h3-4,7-12,15-18H,1-2,5-6,13-14,19-22H2.
What are the key properties of 1-(6-diphenylphosphanylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
1-(6-diphenylphosphanylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 477.55 g/mol, XLogP of 3.24, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-diphenylphosphanylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 15848109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).