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

C31H31N3O3 — CID 143918006

IUPAC1,3-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
SMILESC=C/C=C(\C=C/C)/C=C/Cn1c(=O)n(C/C=C/c2ccccc2)c(=O)n(C/C=C/c2ccccc2)c1=O
InChIInChI=1S/C31H31N3O3/c1-3-14-26(15-4-2)20-11-23-32-29(35)33(24-12-21-27-16-7-5-8-17-27)31(37)34(30(32)36)25-13-22-28-18-9-6-10-19-28/h3-22H,1,23-25H2,2H3/b15-4-,20-11+,21-12+,22-13+,26-14+
InChIKeyBARFZPKKFDPCOU-JXKIBZHZSA-N
MW493.61 g/mol
LogP4.84
Rot. Bonds11

About 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

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 (PubChem CID 143918006) has the molecular formula C31H31N3O3 and a molecular weight of 493.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,3-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
PubChem CID143918006
Molecular FormulaC31H31N3O3
Molecular Weight493.61 g/mol
Exact Mass493.24
IUPAC Name1,3-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
SMILESC=C/C=C(\C=C/C)/C=C/Cn1c(=O)n(C/C=C/c2ccccc2)c(=O)n(C/C=C/c2ccccc2)c1=O
InChIInChI=1S/C31H31N3O3/c1-3-14-26(15-4-2)20-11-23-32-29(35)33(24-12-21-27-16-7-5-8-17-27)31(37)34(30(32)36)25-13-22-28-18-9-6-10-19-28/h3-22H,1,23-25H2,2H3/b15-4-,20-11+,21-12+,22-13+,26-14+
InChIKeyBARFZPKKFDPCOU-JXKIBZHZSA-N
XLogP4.84
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

1,3-Bis(4-phenylbutyl)-1,3-diazinane-2,4,6-trione
CID 49805860
Tribenzyl isocyanurate
CID 11805
1,3-Bis(3-phenylpropyl)-1,3-diazinane-2,4,6-trione
CID 49805859
1,3-Dibenzylhexahydropyrimidin-2-one
CID 13619469
1,3-Dimethyl-1-(2-phenylethyl)-3-(3-phenylpropyl)urea
CID 137640887
1-Piperazinecarboxamide, N-((dimethylamino)carbonyl)-N-methyl-4-(phenylmethyl)-
CID 3066972
1-Piperazinecarboxamide, N-((dimethylamino)carbonyl)-N-methyl-4-(3-phenyl-2-propenyl)-, monohydrochloride
CID 6448069
S-Triazine-2,4,6(1H,3H,5H)-trione, 1-benzyl-3,5-diallyl-
CID 141368
5-methyl-1,3-bis(3-phenyl-2-propen-1-yl)-2,4(1H,3H)-pyrimidinedione
CID 1916301
Tristyryl-isocyanurate
CID 12311675
Benzyl(methyl)isocyanurate
CID 12311677
1-[3-(Dimethylamino)propyl]-3,5-bis[(4-fluorophenyl)methyl]-1,3,5-triazinane-2,4,6-trione
CID 155808181

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C/C=C(\C=C/C)/C=C/Cn1c(=O)n(C/C=C/c2ccccc2)c(=O)n(C/C=C/c2ccccc2)c1=O.
What is the InChIKey of 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?
The InChIKey is BARFZPKKFDPCOU-JXKIBZHZSA-N. The full InChI is InChI=1S/C31H31N3O3/c1-3-14-26(15-4-2)20-11-23-32-29(35)33(24-12-21-27-16-7-5-8-17-27)31(37)34(30(32)36)25-13-22-28-18-9-6-10-19-28/h3-22H,1,23-25H2,2H3/b15-4-,20-11+,21-12+,22-13+,26-14+.
What are the key properties of 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?
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 has a molecular weight of 493.61 g/mol, XLogP of 4.84, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143918006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).