1-(10-diphenylphosphanyldecyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

C31H40N3O3P — CID 15848110

IUPAC1-(10-diphenylphosphanyldecyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CCCCCCCCCCP(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C31H40N3O3P/c1-3-23-32-29(35)33(24-4-2)31(37)34(30(32)36)25-17-9-7-5-6-8-10-18-26-38(27-19-13-11-14-20-27)28-21-15-12-16-22-28/h3-4,11-16,19-22H,1-2,5-10,17-18,23-26H2
InChIKeyRFZUIKFTFLCPBJ-UHFFFAOYSA-N
MW533.65 g/mol
LogP4.80
Rot. Bonds17

About 1-(10-diphenylphosphanyldecyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

1-(10-diphenylphosphanyldecyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 15848110) has the molecular formula C31H40N3O3P and a molecular weight of 533.65 g/mol. Its IUPAC name is 1-(10-diphenylphosphanyldecyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(10-diphenylphosphanyldecyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID15848110
Molecular FormulaC31H40N3O3P
Molecular Weight533.65 g/mol
Exact Mass533.28
IUPAC Name1-(10-diphenylphosphanyldecyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CCCCCCCCCCP(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C31H40N3O3P/c1-3-23-32-29(35)33(24-4-2)31(37)34(30(32)36)25-17-9-7-5-6-8-10-18-26-38(27-19-13-11-14-20-27)28-21-15-12-16-22-28/h3-4,11-16,19-22H,1-2,5-10,17-18,23-26H2
InChIKeyRFZUIKFTFLCPBJ-UHFFFAOYSA-N
XLogP4.80
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.65
LogP ≤ 54.80
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

1,3-Diallyl-5-[3-(diphenylphosphino)propyl]-1,3,5-triazine-2,4,6(1h,3h,5h)-trione
CID 14953667
1-(3-Diphenylphosphorylpropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 14953670
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-(6-Diphenylphosphanylhexyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 15848109
10-(Hydroxycarbamoylcarbamoylamino)decyl-triphenylphosphanium
CID 174198236
1-diphenylphosphanyl-N-hexyl-N-(hexylcarbamoyl)formamide
CID 177433281

Frequently Asked Questions

What is the IUPAC name of 1-(10-diphenylphosphanyldecyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-(10-diphenylphosphanyldecyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 15848110) is 1-(10-diphenylphosphanyldecyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-(10-diphenylphosphanyldecyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-(10-diphenylphosphanyldecyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is C=CCn1c(=O)n(CC=C)c(=O)n(CCCCCCCCCCP(c2ccccc2)c2ccccc2)c1=O.
What is the InChIKey of 1-(10-diphenylphosphanyldecyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is RFZUIKFTFLCPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N3O3P/c1-3-23-32-29(35)33(24-4-2)31(37)34(30(32)36)25-17-9-7-5-6-8-10-18-26-38(27-19-13-11-14-20-27)28-21-15-12-16-22-28/h3-4,11-16,19-22H,1-2,5-10,17-18,23-26H2.
What are the key properties of 1-(10-diphenylphosphanyldecyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
1-(10-diphenylphosphanyldecyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 533.65 g/mol, XLogP of 4.80, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-diphenylphosphanyldecyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 15848110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).