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

C28H19IN2O3 — CID 86276323

IUPAC1,3-diphenyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1C(=Ic2ccc(-c3ccccc3)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C28H19IN2O3/c32-26-25(29-22-18-16-21(17-19-22)20-10-4-1-5-11-20)27(33)31(24-14-8-3-9-15-24)28(34)30(26)23-12-6-2-7-13-23/h1-19H
InChIKeyZDMFUGXCDQHZHT-UHFFFAOYSA-N
MW558.38 g/mol
LogP5.87
Rot. Bonds4

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

1,3-diphenyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 86276323) has the molecular formula C28H19IN2O3 and a molecular weight of 558.38 g/mol. Its IUPAC name is 1,3-diphenyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-diphenyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione
PubChem CID86276323
Molecular FormulaC28H19IN2O3
Molecular Weight558.38 g/mol
Exact Mass558.04
IUPAC Name1,3-diphenyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1C(=Ic2ccc(-c3ccccc3)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C28H19IN2O3/c32-26-25(29-22-18-16-21(17-19-22)20-10-4-1-5-11-20)27(33)31(24-14-8-3-9-15-24)28(34)30(26)23-12-6-2-7-13-23/h1-19H
InChIKeyZDMFUGXCDQHZHT-UHFFFAOYSA-N
XLogP5.87
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.38
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-diphenyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione (CID 86276323) is 1,3-diphenyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-diphenyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-diphenyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione is O=C1C(=Ic2ccc(-c3ccccc3)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of 1,3-diphenyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is ZDMFUGXCDQHZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19IN2O3/c32-26-25(29-22-18-16-21(17-19-22)20-10-4-1-5-11-20)27(33)31(24-14-8-3-9-15-24)28(34)30(26)23-12-6-2-7-13-23/h1-19H.
What are the key properties of 1,3-diphenyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione?
1,3-diphenyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 558.38 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-5-[(4-phenylphenyl)-λ3-iodanylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 86276323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).