5-benzyl-1-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-5-phenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,5-diphenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3,5-tribenzyl-1,3-diazinane-2,4,6-trione

C122H104N10O15 — CID 159349821

IUPAC5-benzyl-1-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-5-phenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,5-diphenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3,5-tribenzyl-1,3-diazinane-2,4,6-trione
SMILESO=C1C(Cc2ccccc2)C(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1.O=C1C(Cc2ccccc2)C(=O)N(c2ccccc2)C(=O)N1CCc1ccccc1.O=C1C(Cc2ccccc2)C(=O)N(c2ccccc2)C(=O)N1Cc1ccccc1.O=C1C(c2ccccc2)C(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1.O=C1C(c2ccccc2)C(=O)N(c2ccccc2)C(=O)N1CCc1ccccc1
InChIInChI=1S/2C25H22N2O3.3C24H20N2O3/c28-23-22(16-19-10-4-1-5-11-19)24(29)27(18-21-14-8-3-9-15-21)25(30)26(23)17-20-12-6-2-7-13-20;28-23-22(18-20-12-6-2-7-13-20)24(29)27(21-14-8-3-9-15-21)25(30)26(23)17-16-19-10-4-1-5-11-19;27-22-21(20-14-8-3-9-15-20)23(28)26(17-19-12-6-2-7-13-19)24(29)25(22)16-18-10-4-1-5-11-18;27-22-21(16-18-10-4-1-5-11-18)23(28)26(20-14-8-3-9-15-20)24(29)25(22)17-19-12-6-2-7-13-19;27-22-21(19-12-6-2-7-13-19)23(28)26(20-14-8-3-9-15-20)24(29)25(22)17-16-18-10-4-1-5-11-18/h2*1-15,22H,16-18H2;3*1-15,21H,16-17H2
InChIKeyLHENCNQNPSTIEN-UHFFFAOYSA-N
MW1950.23 g/mol
LogP20.13
Rot. Bonds27

About 5-benzyl-1-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-5-phenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,5-diphenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3,5-tribenzyl-1,3-diazinane-2,4,6-trione

5-benzyl-1-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-5-phenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,5-diphenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3,5-tribenzyl-1,3-diazinane-2,4,6-trione (PubChem CID 159349821) has the molecular formula C122H104N10O15 and a molecular weight of 1950.23 g/mol. Its IUPAC name is 5-benzyl-1-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-5-phenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,5-diphenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3,5-tribenzyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-benzyl-1-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-5-phenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,5-diphenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3,5-tribenzyl-1,3-diazinane-2,4,6-trione
PubChem CID159349821
Molecular FormulaC122H104N10O15
Molecular Weight1950.23 g/mol
Exact Mass1948.77
IUPAC Name5-benzyl-1-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-5-phenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,5-diphenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3,5-tribenzyl-1,3-diazinane-2,4,6-trione
SMILESO=C1C(Cc2ccccc2)C(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1.O=C1C(Cc2ccccc2)C(=O)N(c2ccccc2)C(=O)N1CCc1ccccc1.O=C1C(Cc2ccccc2)C(=O)N(c2ccccc2)C(=O)N1Cc1ccccc1.O=C1C(c2ccccc2)C(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1.O=C1C(c2ccccc2)C(=O)N(c2ccccc2)C(=O)N1CCc1ccccc1
InChIInChI=1S/2C25H22N2O3.3C24H20N2O3/c28-23-22(16-19-10-4-1-5-11-19)24(29)27(18-21-14-8-3-9-15-21)25(30)26(23)17-20-12-6-2-7-13-20;28-23-22(18-20-12-6-2-7-13-20)24(29)27(21-14-8-3-9-15-21)25(30)26(23)17-16-19-10-4-1-5-11-19;27-22-21(20-14-8-3-9-15-20)23(28)26(17-19-12-6-2-7-13-19)24(29)25(22)16-18-10-4-1-5-11-18;27-22-21(16-18-10-4-1-5-11-18)23(28)26(20-14-8-3-9-15-20)24(29)25(22)17-19-12-6-2-7-13-19;27-22-21(19-12-6-2-7-13-19)23(28)26(20-14-8-3-9-15-20)24(29)25(22)17-16-18-10-4-1-5-11-18/h2*1-15,22H,16-18H2;3*1-15,21H,16-17H2
InChIKeyLHENCNQNPSTIEN-UHFFFAOYSA-N
XLogP20.13
TPSA288.45 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds27
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001950.23
LogP ≤ 520.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-benzyl-1-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-5-phenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,5-diphenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3,5-tribenzyl-1,3-diazinane-2,4,6-trione with MolForge

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Related Compounds

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1,3-bis(4-phenylbutyl)-1,3-diazinane-2,4,6-trione;1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(3-phenylpropyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione;ethane
CID 158655341
1-[3-[5-[(1-benzyl-3-cyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)methyl]-2-methylphenyl]cyclohexyl]-5-[[3-[3-(3-cyclohexyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)cyclohexyl]phenyl]methyl]-3-phenyl-1,3-diazinane-2,4,6-trione
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5-benzyl-1-methyl-3-phenylimidazolidine-2,4-dione
CID 12790757
1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione
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5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-methyl-1,3-diazinane-2,4,6-trione;1-benzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione
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3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-5-phenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,5-diphenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3,5-tribenzyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-benzyl-1-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-5-phenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,5-diphenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3,5-tribenzyl-1,3-diazinane-2,4,6-trione (CID 159349821) is 5-benzyl-1-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-5-phenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,5-diphenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3,5-tribenzyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-benzyl-1-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-5-phenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,5-diphenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3,5-tribenzyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-benzyl-1-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-5-phenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,5-diphenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3,5-tribenzyl-1,3-diazinane-2,4,6-trione is O=C1C(Cc2ccccc2)C(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1.O=C1C(Cc2ccccc2)C(=O)N(c2ccccc2)C(=O)N1CCc1ccccc1.O=C1C(Cc2ccccc2)C(=O)N(c2ccccc2)C(=O)N1Cc1ccccc1.O=C1C(c2ccccc2)C(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1.O=C1C(c2ccccc2)C(=O)N(c2ccccc2)C(=O)N1CCc1ccccc1.
What is the InChIKey of 5-benzyl-1-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-5-phenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,5-diphenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3,5-tribenzyl-1,3-diazinane-2,4,6-trione?
The InChIKey is LHENCNQNPSTIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H22N2O3.3C24H20N2O3/c28-23-22(16-19-10-4-1-5-11-19)24(29)27(18-21-14-8-3-9-15-21)25(30)26(23)17-20-12-6-2-7-13-20;28-23-22(18-20-12-6-2-7-13-20)24(29)27(21-14-8-3-9-15-21)25(30)26(23)17-16-19-10-4-1-5-11-19;27-22-21(20-14-8-3-9-15-20)23(28)26(17-19-12-6-2-7-13-19)24(29)25(22)16-18-10-4-1-5-11-18;27-22-21(16-18-10-4-1-5-11-18)23(28)26(20-14-8-3-9-15-20)24(29)25(22)17-19-12-6-2-7-13-19;27-22-21(19-12-6-2-7-13-19)23(28)26(20-14-8-3-9-15-20)24(29)25(22)17-16-18-10-4-1-5-11-18/h2*1-15,22H,16-18H2;3*1-15,21H,16-17H2.
What are the key properties of 5-benzyl-1-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-5-phenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,5-diphenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3,5-tribenzyl-1,3-diazinane-2,4,6-trione?
5-benzyl-1-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-5-phenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,5-diphenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3,5-tribenzyl-1,3-diazinane-2,4,6-trione has a molecular weight of 1950.23 g/mol, XLogP of 20.13, 27 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-5-phenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,5-diphenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3,5-tribenzyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 159349821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).