1,3-dimethyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione

C18H15IN2O3 — CID 86276322

IUPAC1,3-dimethyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=Ic2ccc(-c3ccccc3)cc2)C(=O)N(C)C1=O
InChIInChI=1S/C18H15IN2O3/c1-20-16(22)15(17(23)21(2)18(20)24)19-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyNRHGHICCWCGWKR-UHFFFAOYSA-N
MW434.23 g/mol
LogP2.72
Rot. Bonds2

About 1,3-dimethyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione

1,3-dimethyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 86276322) has the molecular formula C18H15IN2O3 and a molecular weight of 434.23 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione
PubChem CID86276322
Molecular FormulaC18H15IN2O3
Molecular Weight434.23 g/mol
Exact Mass434.01
IUPAC Name1,3-dimethyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(=Ic2ccc(-c3ccccc3)cc2)C(=O)N(C)C1=O
InChIInChI=1S/C18H15IN2O3/c1-20-16(22)15(17(23)21(2)18(20)24)19-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyNRHGHICCWCGWKR-UHFFFAOYSA-N
XLogP2.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.23
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-benzylidene-1,3-dimethylimidazolidine-2,4-dione
CID 71360236
2-methyl-2-(2-methylpropyl)-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-dioxane-4,6-dione
CID 86276326
5-[[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 126002114
acetic acid;1-iodosyl-4-phenylbenzene
CID 160591801
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
(5Z)-1,3-dimethyl-5-(phenylsulfanylmethylidene)imidazolidine-2,4-dione
CID 101250562
1,3-dimethyl-5-[(2-phenyl-1,3-thiazol-4-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 39973884
benzene;1,1'-biphenyl;ethane
CID 158550617
1-[(4-phenylphenyl)methyl]-3-propylimidazolidine-2,4,5-trione
CID 8626573
benzene;tris(1,1'-biphenyl)
CID 162155747
5,10-dimethyl-2-phenylphenazine
CID 22055373

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione (CID 86276322) is 1,3-dimethyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione is CN1C(=O)C(=Ic2ccc(-c3ccccc3)cc2)C(=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is NRHGHICCWCGWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15IN2O3/c1-20-16(22)15(17(23)21(2)18(20)24)19-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 1,3-dimethyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 434.23 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 86276322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).