5-benzhydryl-1,3-diphenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzhydryl-1,3-diazinane-2,4,6-trione;1-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-(3-oxo-1,3-diphenylpropyl)-1,3-diphenyl-1,3-diazinane-2,4,6-trione;5-phenyl-1,3-diazinane-2,4,6-trione

C112H90N10O16 — CID 161339138

IUPAC5-benzhydryl-1,3-diphenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzhydryl-1,3-diazinane-2,4,6-trione;1-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-(3-oxo-1,3-diphenylpropyl)-1,3-diphenyl-1,3-diazinane-2,4,6-trione;5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCN1C(=O)NC(=O)C(c2ccccc2)C1=O.O=C(CC(c1ccccc1)C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O)c1ccccc1.O=C1C(C(c2ccccc2)c2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1.O=C1NC(=O)C(c2ccccc2)C(=O)N1.O=C1NC(=O)N(C(c2ccccc2)c2ccccc2)C(=O)C1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H24N2O4.C30H24N2O3.C29H22N2O3.C12H12N2O3.C10H8N2O3/c34-27(23-15-7-2-8-16-23)21-26(22-13-5-1-6-14-22)28-29(35)32(24-17-9-3-10-18-24)31(37)33(30(28)36)25-19-11-4-12-20-25;33-28-26(25(21-13-5-1-6-14-21)22-15-7-2-8-16-22)29(34)32(30(35)31-28)27(23-17-9-3-10-18-23)24-19-11-4-12-20-24;32-27-26(25(21-13-5-1-6-14-21)22-15-7-2-8-16-22)28(33)31(24-19-11-4-12-20-24)29(34)30(27)23-17-9-3-10-18-23;1-2-14-11(16)9(10(15)13-12(14)17)8-6-4-3-5-7-8;13-8-7(6-4-2-1-3-5-6)9(14)12-10(15)11-8/h1-20,26,28H,21H2;1-20,25-27H,(H,31,33,35);1-20,25-26H;3-7,9H,2H2,1H3,(H,13,15,17);1-5,7H,(H2,11,12,13,14,15)
InChIKeyVMKXQMXVHWBODN-UHFFFAOYSA-N
MW1832.01 g/mol
LogP17.80
Rot. Bonds21

About 5-benzhydryl-1,3-diphenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzhydryl-1,3-diazinane-2,4,6-trione;1-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-(3-oxo-1,3-diphenylpropyl)-1,3-diphenyl-1,3-diazinane-2,4,6-trione;5-phenyl-1,3-diazinane-2,4,6-trione

5-benzhydryl-1,3-diphenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzhydryl-1,3-diazinane-2,4,6-trione;1-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-(3-oxo-1,3-diphenylpropyl)-1,3-diphenyl-1,3-diazinane-2,4,6-trione;5-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 161339138) has the molecular formula C112H90N10O16 and a molecular weight of 1832.01 g/mol. Its IUPAC name is 5-benzhydryl-1,3-diphenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzhydryl-1,3-diazinane-2,4,6-trione;1-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-(3-oxo-1,3-diphenylpropyl)-1,3-diphenyl-1,3-diazinane-2,4,6-trione;5-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-benzhydryl-1,3-diphenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzhydryl-1,3-diazinane-2,4,6-trione;1-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-(3-oxo-1,3-diphenylpropyl)-1,3-diphenyl-1,3-diazinane-2,4,6-trione;5-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID161339138
Molecular FormulaC112H90N10O16
Molecular Weight1832.01 g/mol
Exact Mass1830.65
IUPAC Name5-benzhydryl-1,3-diphenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzhydryl-1,3-diazinane-2,4,6-trione;1-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-(3-oxo-1,3-diphenylpropyl)-1,3-diphenyl-1,3-diazinane-2,4,6-trione;5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCN1C(=O)NC(=O)C(c2ccccc2)C1=O.O=C(CC(c1ccccc1)C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O)c1ccccc1.O=C1C(C(c2ccccc2)c2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1.O=C1NC(=O)C(c2ccccc2)C(=O)N1.O=C1NC(=O)N(C(c2ccccc2)c2ccccc2)C(=O)C1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H24N2O4.C30H24N2O3.C29H22N2O3.C12H12N2O3.C10H8N2O3/c34-27(23-15-7-2-8-16-23)21-26(22-13-5-1-6-14-22)28-29(35)32(24-17-9-3-10-18-24)31(37)33(30(28)36)25-19-11-4-12-20-25;33-28-26(25(21-13-5-1-6-14-21)22-15-7-2-8-16-22)29(34)32(30(35)31-28)27(23-17-9-3-10-18-23)24-19-11-4-12-20-24;32-27-26(25(21-13-5-1-6-14-21)22-15-7-2-8-16-22)28(33)31(24-19-11-4-12-20-24)29(34)30(27)23-17-9-3-10-18-23;1-2-14-11(16)9(10(15)13-12(14)17)8-6-4-3-5-7-8;13-8-7(6-4-2-1-3-5-6)9(14)12-10(15)11-8/h1-20,26,28H,21H2;1-20,25-27H,(H,31,33,35);1-20,25-26H;3-7,9H,2H2,1H3,(H,13,15,17);1-5,7H,(H2,11,12,13,14,15)
InChIKeyVMKXQMXVHWBODN-UHFFFAOYSA-N
XLogP17.80
TPSA340.68 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001832.01
LogP ≤ 517.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 5-benzhydryl-1,3-diphenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzhydryl-1,3-diazinane-2,4,6-trione;1-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-(3-oxo-1,3-diphenylpropyl)-1,3-diphenyl-1,3-diazinane-2,4,6-trione;5-phenyl-1,3-diazinane-2,4,6-trione with MolForge

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Related Compounds

5-Benzyl-1-cyclohexyl-3-phenyl-1,3-diazinane-2,4,6-trione;1-[(4-tert-butylphenyl)methyl]-3,5-diphenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-3,5-diphenyl-1,3-diazinane-2,4,6-trione;1-[(4-methylphenyl)methyl]-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 157604350
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-[(4-tert-butylphenyl)methyl]-3,5-diphenyl-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;1-phenyl-3,5-bis[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazinane-2,4,6-trione
CID 157714393
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
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-[(4-tert-butylphenyl)methyl]-3,5-diphenyl-1,3-diazinane-2,4,6-trione;1-cyclohexyl-3,5-diphenyl-1,3-diazinane-2,4,6-trione;1-phenyl-3,5-bis[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazinane-2,4,6-trione
CID 160062814
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-[(4-tert-butylphenyl)methyl]-3,5-diphenyl-1,3-diazinane-2,4,6-trione;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 160251686
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;1-cyclohexyl-3,5-diphenyl-1,3-diazinane-2,4,6-trione;1,3-dicyclohexyl-5-phenyl-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 160984158
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
5,5-Diethyl-1-phenyl-1,3-diazinane-2,4,6-trione;5-ethyl-5-phenyl-1,3-diazinane-4,6-dione;5-phenyl-5-(piperidin-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 66873923
1,3,5-Tris[6-(5-benzyl-2,4,6-trioxo-3-phenyl-1,3-diazinan-1-yl)hexyl]-1,3,5-triazinane-2,4,6-trione
CID 121308898
N-[(3-benzamidophenyl)carbamoyl]-4-phenylbenzamide;1-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)propan-1-one
CID 123737411
16-Tert-butyl-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12-hexaene-8,14-dione;16-phenyl-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12-hexaene-8,14-dione
CID 143059075
1-[6-(5-benzyl-2,4,6-trioxo-3-phenyl-1,3-diazinan-1-yl)hexyl]-5-[6-[(5S)-5-benzyl-2,4,6-trioxo-3-phenyl-1,3-diazinan-1-yl]hexyl]-3-[6-[(5R)-5-benzyl-2,4,6-trioxo-3-phenyl-1,3-diazinan-1-yl]hexyl]-1,3,5-triazinane-2,4,6-trione
CID 144772466

Frequently Asked Questions

What is the IUPAC name of 5-benzhydryl-1,3-diphenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzhydryl-1,3-diazinane-2,4,6-trione;1-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-(3-oxo-1,3-diphenylpropyl)-1,3-diphenyl-1,3-diazinane-2,4,6-trione;5-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-benzhydryl-1,3-diphenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzhydryl-1,3-diazinane-2,4,6-trione;1-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-(3-oxo-1,3-diphenylpropyl)-1,3-diphenyl-1,3-diazinane-2,4,6-trione;5-phenyl-1,3-diazinane-2,4,6-trione (CID 161339138) is 5-benzhydryl-1,3-diphenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzhydryl-1,3-diazinane-2,4,6-trione;1-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-(3-oxo-1,3-diphenylpropyl)-1,3-diphenyl-1,3-diazinane-2,4,6-trione;5-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-benzhydryl-1,3-diphenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzhydryl-1,3-diazinane-2,4,6-trione;1-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-(3-oxo-1,3-diphenylpropyl)-1,3-diphenyl-1,3-diazinane-2,4,6-trione;5-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-benzhydryl-1,3-diphenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzhydryl-1,3-diazinane-2,4,6-trione;1-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-(3-oxo-1,3-diphenylpropyl)-1,3-diphenyl-1,3-diazinane-2,4,6-trione;5-phenyl-1,3-diazinane-2,4,6-trione is CCN1C(=O)NC(=O)C(c2ccccc2)C1=O.O=C(CC(c1ccccc1)C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O)c1ccccc1.O=C1C(C(c2ccccc2)c2ccccc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1.O=C1NC(=O)C(c2ccccc2)C(=O)N1.O=C1NC(=O)N(C(c2ccccc2)c2ccccc2)C(=O)C1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-benzhydryl-1,3-diphenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzhydryl-1,3-diazinane-2,4,6-trione;1-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-(3-oxo-1,3-diphenylpropyl)-1,3-diphenyl-1,3-diazinane-2,4,6-trione;5-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is VMKXQMXVHWBODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2O4.C30H24N2O3.C29H22N2O3.C12H12N2O3.C10H8N2O3/c34-27(23-15-7-2-8-16-23)21-26(22-13-5-1-6-14-22)28-29(35)32(24-17-9-3-10-18-24)31(37)33(30(28)36)25-19-11-4-12-20-25;33-28-26(25(21-13-5-1-6-14-21)22-15-7-2-8-16-22)29(34)32(30(35)31-28)27(23-17-9-3-10-18-23)24-19-11-4-12-20-24;32-27-26(25(21-13-5-1-6-14-21)22-15-7-2-8-16-22)28(33)31(24-19-11-4-12-20-24)29(34)30(27)23-17-9-3-10-18-23;1-2-14-11(16)9(10(15)13-12(14)17)8-6-4-3-5-7-8;13-8-7(6-4-2-1-3-5-6)9(14)12-10(15)11-8/h1-20,26,28H,21H2;1-20,25-27H,(H,31,33,35);1-20,25-26H;3-7,9H,2H2,1H3,(H,13,15,17);1-5,7H,(H2,11,12,13,14,15).
What are the key properties of 5-benzhydryl-1,3-diphenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzhydryl-1,3-diazinane-2,4,6-trione;1-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-(3-oxo-1,3-diphenylpropyl)-1,3-diphenyl-1,3-diazinane-2,4,6-trione;5-phenyl-1,3-diazinane-2,4,6-trione?
5-benzhydryl-1,3-diphenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzhydryl-1,3-diazinane-2,4,6-trione;1-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-(3-oxo-1,3-diphenylpropyl)-1,3-diphenyl-1,3-diazinane-2,4,6-trione;5-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 1832.01 g/mol, XLogP of 17.80, 21 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzhydryl-1,3-diphenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzhydryl-1,3-diazinane-2,4,6-trione;1-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;5-(3-oxo-1,3-diphenylpropyl)-1,3-diphenyl-1,3-diazinane-2,4,6-trione;5-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 161339138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).