1-benzyl-3-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-cyclohexyl-3-phenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-3,5-diphenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-5-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;5-[(4-methylphenyl)methyl]-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazinane-2,4,6-trione

C118H117F3N10O15 — CID 161374441

IUPAC1-benzyl-3-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-cyclohexyl-3-phenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-3,5-diphenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-5-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;5-[(4-methylphenyl)methyl]-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazinane-2,4,6-trione
SMILESCc1ccc(CC2C(=O)N(Cc3ccc(C(F)(F)F)cc3)C(=O)N(c3ccccc3)C2=O)cc1.O=C1C(Cc2ccccc2)C(=O)N(C2CCCCC2)C(=O)N1c1ccccc1.O=C1C(c2ccccc2)C(=O)N(C2CCCCC2)C(=O)N1CCc1ccccc1.O=C1C(c2ccccc2)C(=O)N(C2CCCCC2)C(=O)N1Cc1ccccc1.O=C1C(c2ccccc2)C(=O)N(C2CCCCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C26H21F3N2O3.C24H26N2O3.2C23H24N2O3.C22H22N2O3/c1-17-7-9-18(10-8-17)15-22-23(32)30(16-19-11-13-20(14-12-19)26(27,28)29)25(34)31(24(22)33)21-5-3-2-4-6-21;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;26-21-20(18-12-6-2-7-13-18)22(27)25(19-14-8-3-9-15-19)23(28)24(21)16-17-10-4-1-5-11-17;26-21-20(16-17-10-4-1-5-11-17)22(27)25(19-14-8-3-9-15-19)23(28)24(21)18-12-6-2-7-13-18;25-20-19(16-10-4-1-5-11-16)21(26)24(18-14-8-3-9-15-18)22(27)23(20)17-12-6-2-7-13-17/h2-14,22H,15-16H2,1H3;1-2,4-7,10-13,20-21H,3,8-9,14-17H2;2*1-2,4-7,10-13,19-20H,3,8-9,14-16H2;1-2,4-7,10-13,18-19H,3,8-9,14-15H2
InChIKeyVQWTXVLSLMRSTE-UHFFFAOYSA-N
MW1972.28 g/mol
LogP21.87
Rot. Bonds21

About 1-benzyl-3-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-cyclohexyl-3-phenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-3,5-diphenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-5-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;5-[(4-methylphenyl)methyl]-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazinane-2,4,6-trione

1-benzyl-3-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-cyclohexyl-3-phenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-3,5-diphenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-5-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;5-[(4-methylphenyl)methyl]-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazinane-2,4,6-trione (PubChem CID 161374441) has the molecular formula C118H117F3N10O15 and a molecular weight of 1972.28 g/mol. Its IUPAC name is 1-benzyl-3-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-cyclohexyl-3-phenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-3,5-diphenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-5-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;5-[(4-methylphenyl)methyl]-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-benzyl-3-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-cyclohexyl-3-phenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-3,5-diphenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-5-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;5-[(4-methylphenyl)methyl]-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazinane-2,4,6-trione
PubChem CID161374441
Molecular FormulaC118H117F3N10O15
Molecular Weight1972.28 g/mol
Exact Mass1970.87
IUPAC Name1-benzyl-3-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-cyclohexyl-3-phenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-3,5-diphenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-5-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;5-[(4-methylphenyl)methyl]-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazinane-2,4,6-trione
SMILESCc1ccc(CC2C(=O)N(Cc3ccc(C(F)(F)F)cc3)C(=O)N(c3ccccc3)C2=O)cc1.O=C1C(Cc2ccccc2)C(=O)N(C2CCCCC2)C(=O)N1c1ccccc1.O=C1C(c2ccccc2)C(=O)N(C2CCCCC2)C(=O)N1CCc1ccccc1.O=C1C(c2ccccc2)C(=O)N(C2CCCCC2)C(=O)N1Cc1ccccc1.O=C1C(c2ccccc2)C(=O)N(C2CCCCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C26H21F3N2O3.C24H26N2O3.2C23H24N2O3.C22H22N2O3/c1-17-7-9-18(10-8-17)15-22-23(32)30(16-19-11-13-20(14-12-19)26(27,28)29)25(34)31(24(22)33)21-5-3-2-4-6-21;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;26-21-20(18-12-6-2-7-13-18)22(27)25(19-14-8-3-9-15-19)23(28)24(21)16-17-10-4-1-5-11-17;26-21-20(16-17-10-4-1-5-11-17)22(27)25(19-14-8-3-9-15-19)23(28)24(21)18-12-6-2-7-13-18;25-20-19(16-10-4-1-5-11-16)21(26)24(18-14-8-3-9-15-18)22(27)23(20)17-12-6-2-7-13-17/h2-14,22H,15-16H2,1H3;1-2,4-7,10-13,20-21H,3,8-9,14-17H2;2*1-2,4-7,10-13,19-20H,3,8-9,14-16H2;1-2,4-7,10-13,18-19H,3,8-9,14-15H2
InChIKeyVQWTXVLSLMRSTE-UHFFFAOYSA-N
XLogP21.87
TPSA288.45 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds21
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001972.28
LogP ≤ 521.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-cyclohexyl-3-phenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-3,5-diphenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-5-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;5-[(4-methylphenyl)methyl]-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazinane-2,4,6-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-cyclohexyl-3-phenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-3,5-diphenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-5-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;5-[(4-methylphenyl)methyl]-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-benzyl-3-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-cyclohexyl-3-phenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-3,5-diphenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-5-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;5-[(4-methylphenyl)methyl]-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazinane-2,4,6-trione (CID 161374441) is 1-benzyl-3-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-cyclohexyl-3-phenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-3,5-diphenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-5-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;5-[(4-methylphenyl)methyl]-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-benzyl-3-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-cyclohexyl-3-phenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-3,5-diphenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-5-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;5-[(4-methylphenyl)methyl]-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-benzyl-3-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-cyclohexyl-3-phenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-3,5-diphenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-5-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;5-[(4-methylphenyl)methyl]-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazinane-2,4,6-trione is Cc1ccc(CC2C(=O)N(Cc3ccc(C(F)(F)F)cc3)C(=O)N(c3ccccc3)C2=O)cc1.O=C1C(Cc2ccccc2)C(=O)N(C2CCCCC2)C(=O)N1c1ccccc1.O=C1C(c2ccccc2)C(=O)N(C2CCCCC2)C(=O)N1CCc1ccccc1.O=C1C(c2ccccc2)C(=O)N(C2CCCCC2)C(=O)N1Cc1ccccc1.O=C1C(c2ccccc2)C(=O)N(C2CCCCC2)C(=O)N1c1ccccc1.
What is the InChIKey of 1-benzyl-3-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-cyclohexyl-3-phenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-3,5-diphenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-5-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;5-[(4-methylphenyl)methyl]-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is VQWTXVLSLMRSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O3.C24H26N2O3.2C23H24N2O3.C22H22N2O3/c1-17-7-9-18(10-8-17)15-22-23(32)30(16-19-11-13-20(14-12-19)26(27,28)29)25(34)31(24(22)33)21-5-3-2-4-6-21;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;26-21-20(18-12-6-2-7-13-18)22(27)25(19-14-8-3-9-15-19)23(28)24(21)16-17-10-4-1-5-11-17;26-21-20(16-17-10-4-1-5-11-17)22(27)25(19-14-8-3-9-15-19)23(28)24(21)18-12-6-2-7-13-18;25-20-19(16-10-4-1-5-11-16)21(26)24(18-14-8-3-9-15-18)22(27)23(20)17-12-6-2-7-13-17/h2-14,22H,15-16H2,1H3;1-2,4-7,10-13,20-21H,3,8-9,14-17H2;2*1-2,4-7,10-13,19-20H,3,8-9,14-16H2;1-2,4-7,10-13,18-19H,3,8-9,14-15H2.
What are the key properties of 1-benzyl-3-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-cyclohexyl-3-phenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-3,5-diphenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-5-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;5-[(4-methylphenyl)methyl]-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazinane-2,4,6-trione?
1-benzyl-3-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-cyclohexyl-3-phenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-3,5-diphenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-5-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;5-[(4-methylphenyl)methyl]-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 1972.28 g/mol, XLogP of 21.87, 21 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-cyclohexyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-benzyl-1-cyclohexyl-3-phenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-3,5-diphenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-5-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;5-[(4-methylphenyl)methyl]-1-phenyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 161374441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).