1,3-bis(2,2-diphenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(4-phenylbutan-2-yl)-1,3-diazinane-2,4,6-trione;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-bis(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione

C156H160N14O21S2 — CID 157074952

IUPAC1,3-bis(2,2-diphenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(4-phenylbutan-2-yl)-1,3-diazinane-2,4,6-trione;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-bis(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione
SMILESCC(CCc1ccccc1)N1C(=O)CC(=O)N(C(C)CCc2ccccc2)C1=O.O=C1CC(=O)N(CC(c2ccccc2)c2ccccc2)C(=O)N1CC(c1ccccc1)c1ccccc1.O=C1CC(=O)N(CCCCc2ccccc2)C(=O)N1CCCCc1ccccc1.O=C1CC(=O)N(CCCc2ccccc2)C(=O)N1CCCc1ccccc1.O=C1CC(=O)N(CCc2ccccc2)C(=O)N1CCc1ccccc1.O=C1CC(=O)N(CCc2cccs2)C(=O)N1CCc1cccs1.O=C1CC(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C32H28N2O3.2C24H28N2O3.C22H24N2O3.C20H20N2O3.C18H16N2O3.C16H16N2O3S2/c35-30-21-31(36)34(23-29(26-17-9-3-10-18-26)27-19-11-4-12-20-27)32(37)33(30)22-28(24-13-5-1-6-14-24)25-15-7-2-8-16-25;1-18(13-15-20-9-5-3-6-10-20)25-22(27)17-23(28)26(24(25)29)19(2)14-16-21-11-7-4-8-12-21;27-22-19-23(28)26(18-10-8-16-21-13-5-2-6-14-21)24(29)25(22)17-9-7-15-20-11-3-1-4-12-20;25-20-17-21(26)24(16-8-14-19-11-5-2-6-12-19)22(27)23(20)15-7-13-18-9-3-1-4-10-18;23-18-15-19(24)22(14-12-17-9-5-2-6-10-17)20(25)21(18)13-11-16-7-3-1-4-8-16;21-16-11-17(22)20(13-15-9-5-2-6-10-15)18(23)19(16)12-14-7-3-1-4-8-14;19-14-11-15(20)18(8-6-13-4-2-10-23-13)16(21)17(14)7-5-12-3-1-9-22-12/h1-20,28-29H,21-23H2;3-12,18-19H,13-17H2,1-2H3;1-6,11-14H,7-10,15-19H2;1-6,9-12H,7-8,13-17H2;1-10H,11-15H2;1-10H,11-13H2;1-4,9-10H,5-8,11H2
InChIKeyACWDTWATMWUYEO-UHFFFAOYSA-N
MW2631.21 g/mol
LogP25.68
Rot. Bonds50

About 1,3-bis(2,2-diphenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(4-phenylbutan-2-yl)-1,3-diazinane-2,4,6-trione;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-bis(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione

1,3-bis(2,2-diphenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(4-phenylbutan-2-yl)-1,3-diazinane-2,4,6-trione;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-bis(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione (PubChem CID 157074952) has the molecular formula C156H160N14O21S2 and a molecular weight of 2631.21 g/mol. Its IUPAC name is 1,3-bis(2,2-diphenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(4-phenylbutan-2-yl)-1,3-diazinane-2,4,6-trione;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-bis(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(2,2-diphenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(4-phenylbutan-2-yl)-1,3-diazinane-2,4,6-trione;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-bis(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione
PubChem CID157074952
Molecular FormulaC156H160N14O21S2
Molecular Weight2631.21 g/mol
Exact Mass2629.13
IUPAC Name1,3-bis(2,2-diphenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(4-phenylbutan-2-yl)-1,3-diazinane-2,4,6-trione;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-bis(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione
SMILESCC(CCc1ccccc1)N1C(=O)CC(=O)N(C(C)CCc2ccccc2)C1=O.O=C1CC(=O)N(CC(c2ccccc2)c2ccccc2)C(=O)N1CC(c1ccccc1)c1ccccc1.O=C1CC(=O)N(CCCCc2ccccc2)C(=O)N1CCCCc1ccccc1.O=C1CC(=O)N(CCCc2ccccc2)C(=O)N1CCCc1ccccc1.O=C1CC(=O)N(CCc2ccccc2)C(=O)N1CCc1ccccc1.O=C1CC(=O)N(CCc2cccs2)C(=O)N1CCc1cccs1.O=C1CC(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C32H28N2O3.2C24H28N2O3.C22H24N2O3.C20H20N2O3.C18H16N2O3.C16H16N2O3S2/c35-30-21-31(36)34(23-29(26-17-9-3-10-18-26)27-19-11-4-12-20-27)32(37)33(30)22-28(24-13-5-1-6-14-24)25-15-7-2-8-16-25;1-18(13-15-20-9-5-3-6-10-20)25-22(27)17-23(28)26(24(25)29)19(2)14-16-21-11-7-4-8-12-21;27-22-19-23(28)26(18-10-8-16-21-13-5-2-6-14-21)24(29)25(22)17-9-7-15-20-11-3-1-4-12-20;25-20-17-21(26)24(16-8-14-19-11-5-2-6-12-19)22(27)23(20)15-7-13-18-9-3-1-4-10-18;23-18-15-19(24)22(14-12-17-9-5-2-6-10-17)20(25)21(18)13-11-16-7-3-1-4-8-16;21-16-11-17(22)20(13-15-9-5-2-6-10-15)18(23)19(16)12-14-7-3-1-4-8-14;19-14-11-15(20)18(8-6-13-4-2-10-23-13)16(21)17(14)7-5-12-3-1-9-22-12/h1-20,28-29H,21-23H2;3-12,18-19H,13-17H2,1-2H3;1-6,11-14H,7-10,15-19H2;1-6,9-12H,7-8,13-17H2;1-10H,11-15H2;1-10H,11-13H2;1-4,9-10H,5-8,11H2
InChIKeyACWDTWATMWUYEO-UHFFFAOYSA-N
XLogP25.68
TPSA403.83 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds50
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002631.21
LogP ≤ 525.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 1,3-bis(2,2-diphenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(4-phenylbutan-2-yl)-1,3-diazinane-2,4,6-trione;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-bis(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione with MolForge

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Related Compounds

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-benzyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1-[2-(4-chlorophenyl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1-cyclohexyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1-(2,2-diphenylethyl)-3-(4-phenylbutyl)-1,3-diazinane-2,4,6-trione;1-[2-(4-fluorophenyl)ethyl]-3-(4-phenylbutyl)-1,3-diazinane-2,4,6-trione;1-[2-(4-fluorophenyl)ethyl]-3-(2-propan-2-yloxyethyl)-1,3-diazinane-2,4,6-trione;1-[2-(4-methoxyphenyl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1-octyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1-(4-phenylbutyl)-3-(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione
CID 160968783
1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 2187415
1-benzyl-3-ethyl-1,3-diazinane-2,4,6-trione
CID 68636226
2-(2-chloro-4-phenylbutyl)thiophene
CID 63519028
(3R)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 97040862
5-oxo-N-(4-phenylbutan-2-yl)-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 71801175
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 52937766
1-methyl-3-(2-phenylethyl)-8-(thiophen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26136009
2-(10-thiophen-2-yldecyl)isoindole-1,3-dione
CID 22115174
4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione
CID 13455297
1-[4-methyl-5-(2,4,6-trioxo-3-phenyl-1,3-diazinan-1-yl)pentyl]-3-phenyl-1,3-diazinane-2,4,6-trione
CID 121308880

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,2-diphenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(4-phenylbutan-2-yl)-1,3-diazinane-2,4,6-trione;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-bis(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(2,2-diphenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(4-phenylbutan-2-yl)-1,3-diazinane-2,4,6-trione;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-bis(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione (CID 157074952) is 1,3-bis(2,2-diphenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(4-phenylbutan-2-yl)-1,3-diazinane-2,4,6-trione;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-bis(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(2,2-diphenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(4-phenylbutan-2-yl)-1,3-diazinane-2,4,6-trione;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-bis(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(2,2-diphenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(4-phenylbutan-2-yl)-1,3-diazinane-2,4,6-trione;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-bis(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione is CC(CCc1ccccc1)N1C(=O)CC(=O)N(C(C)CCc2ccccc2)C1=O.O=C1CC(=O)N(CC(c2ccccc2)c2ccccc2)C(=O)N1CC(c1ccccc1)c1ccccc1.O=C1CC(=O)N(CCCCc2ccccc2)C(=O)N1CCCCc1ccccc1.O=C1CC(=O)N(CCCc2ccccc2)C(=O)N1CCCc1ccccc1.O=C1CC(=O)N(CCc2ccccc2)C(=O)N1CCc1ccccc1.O=C1CC(=O)N(CCc2cccs2)C(=O)N1CCc1cccs1.O=C1CC(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1,3-bis(2,2-diphenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(4-phenylbutan-2-yl)-1,3-diazinane-2,4,6-trione;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-bis(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione?
The InChIKey is ACWDTWATMWUYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O3.2C24H28N2O3.C22H24N2O3.C20H20N2O3.C18H16N2O3.C16H16N2O3S2/c35-30-21-31(36)34(23-29(26-17-9-3-10-18-26)27-19-11-4-12-20-27)32(37)33(30)22-28(24-13-5-1-6-14-24)25-15-7-2-8-16-25;1-18(13-15-20-9-5-3-6-10-20)25-22(27)17-23(28)26(24(25)29)19(2)14-16-21-11-7-4-8-12-21;27-22-19-23(28)26(18-10-8-16-21-13-5-2-6-14-21)24(29)25(22)17-9-7-15-20-11-3-1-4-12-20;25-20-17-21(26)24(16-8-14-19-11-5-2-6-12-19)22(27)23(20)15-7-13-18-9-3-1-4-10-18;23-18-15-19(24)22(14-12-17-9-5-2-6-10-17)20(25)21(18)13-11-16-7-3-1-4-8-16;21-16-11-17(22)20(13-15-9-5-2-6-10-15)18(23)19(16)12-14-7-3-1-4-8-14;19-14-11-15(20)18(8-6-13-4-2-10-23-13)16(21)17(14)7-5-12-3-1-9-22-12/h1-20,28-29H,21-23H2;3-12,18-19H,13-17H2,1-2H3;1-6,11-14H,7-10,15-19H2;1-6,9-12H,7-8,13-17H2;1-10H,11-15H2;1-10H,11-13H2;1-4,9-10H,5-8,11H2.
What are the key properties of 1,3-bis(2,2-diphenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(4-phenylbutan-2-yl)-1,3-diazinane-2,4,6-trione;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-bis(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione?
1,3-bis(2,2-diphenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(4-phenylbutan-2-yl)-1,3-diazinane-2,4,6-trione;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-bis(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione has a molecular weight of 2631.21 g/mol, XLogP of 25.68, 50 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,2-diphenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(4-phenylbutan-2-yl)-1,3-diazinane-2,4,6-trione;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-bis(2-thiophen-2-ylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 157074952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).