1-benzyl-3-cyclohexyl-5-[(4-methylphenyl)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;bis(1-cyclohexyl-3,5-diphenyl-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

C141H141F3N12O18 — CID 158622280

IUPAC1-benzyl-3-cyclohexyl-5-[(4-methylphenyl)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;bis(1-cyclohexyl-3,5-diphenyl-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.Cc1ccc(CC2C(=O)N(Cc3ccccc3)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)N1Cc1ccccc1.O=C1C(c2ccccc2)C(=O)N(C2CCCCC2)C(=O)N1c1ccccc1.O=C1C(c2ccccc2)C(=O)N(C2CCCCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C26H21F3N2O3.C25H28N2O3.2C23H24N2O3.2C22H22N2O3/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;1-18-12-14-19(15-13-18)16-22-23(28)26(17-20-8-4-2-5-9-20)25(30)27(24(22)29)21-10-6-3-7-11-21;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;2*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;2,4-5,8-9,12-15,21-22H,3,6-7,10-11,16-17H2,1H3;2*1-2,4-7,10-13,19-20H,3,8-9,14-16H2;2*1-2,4-7,10-13,18-19H,3,8-9,14-15H2
InChIKeyHYDPTQUUAZXMDG-UHFFFAOYSA-N
MW2348.74 g/mol
LogP26.31
Rot. Bonds24

About 1-benzyl-3-cyclohexyl-5-[(4-methylphenyl)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;bis(1-cyclohexyl-3,5-diphenyl-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-[(4-methylphenyl)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;bis(1-cyclohexyl-3,5-diphenyl-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 158622280) has the molecular formula C141H141F3N12O18 and a molecular weight of 2348.74 g/mol. Its IUPAC name is 1-benzyl-3-cyclohexyl-5-[(4-methylphenyl)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;bis(1-cyclohexyl-3,5-diphenyl-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-[(4-methylphenyl)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;bis(1-cyclohexyl-3,5-diphenyl-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 CID158622280
Molecular FormulaC141H141F3N12O18
Molecular Weight2348.74 g/mol
Exact Mass2347.04
IUPAC Name1-benzyl-3-cyclohexyl-5-[(4-methylphenyl)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;bis(1-cyclohexyl-3,5-diphenyl-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.Cc1ccc(CC2C(=O)N(Cc3ccccc3)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)N1Cc1ccccc1.O=C1C(c2ccccc2)C(=O)N(C2CCCCC2)C(=O)N1c1ccccc1.O=C1C(c2ccccc2)C(=O)N(C2CCCCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C26H21F3N2O3.C25H28N2O3.2C23H24N2O3.2C22H22N2O3/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;1-18-12-14-19(15-13-18)16-22-23(28)26(17-20-8-4-2-5-9-20)25(30)27(24(22)29)21-10-6-3-7-11-21;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;2*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;2,4-5,8-9,12-15,21-22H,3,6-7,10-11,16-17H2,1H3;2*1-2,4-7,10-13,19-20H,3,8-9,14-16H2;2*1-2,4-7,10-13,18-19H,3,8-9,14-15H2
InChIKeyHYDPTQUUAZXMDG-UHFFFAOYSA-N
XLogP26.31
TPSA346.14 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002348.74
LogP ≤ 526.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-cyclohexyl-5-[(4-methylphenyl)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;bis(1-cyclohexyl-3,5-diphenyl-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-[(4-methylphenyl)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;bis(1-cyclohexyl-3,5-diphenyl-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-[(4-methylphenyl)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;bis(1-cyclohexyl-3,5-diphenyl-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 158622280) is 1-benzyl-3-cyclohexyl-5-[(4-methylphenyl)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;bis(1-cyclohexyl-3,5-diphenyl-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-[(4-methylphenyl)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;bis(1-cyclohexyl-3,5-diphenyl-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-[(4-methylphenyl)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;bis(1-cyclohexyl-3,5-diphenyl-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.Cc1ccc(CC2C(=O)N(Cc3ccccc3)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)N1Cc1ccccc1.O=C1C(c2ccccc2)C(=O)N(C2CCCCC2)C(=O)N1c1ccccc1.O=C1C(c2ccccc2)C(=O)N(C2CCCCC2)C(=O)N1c1ccccc1.
What is the InChIKey of 1-benzyl-3-cyclohexyl-5-[(4-methylphenyl)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;bis(1-cyclohexyl-3,5-diphenyl-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 HYDPTQUUAZXMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O3.C25H28N2O3.2C23H24N2O3.2C22H22N2O3/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;1-18-12-14-19(15-13-18)16-22-23(28)26(17-20-8-4-2-5-9-20)25(30)27(24(22)29)21-10-6-3-7-11-21;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;2*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;2,4-5,8-9,12-15,21-22H,3,6-7,10-11,16-17H2,1H3;2*1-2,4-7,10-13,19-20H,3,8-9,14-16H2;2*1-2,4-7,10-13,18-19H,3,8-9,14-15H2.
What are the key properties of 1-benzyl-3-cyclohexyl-5-[(4-methylphenyl)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;bis(1-cyclohexyl-3,5-diphenyl-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-[(4-methylphenyl)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;bis(1-cyclohexyl-3,5-diphenyl-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 2348.74 g/mol, XLogP of 26.31, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-cyclohexyl-5-[(4-methylphenyl)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;bis(1-cyclohexyl-3,5-diphenyl-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 158622280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).