5-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)oxymethylidene]-1,3-diazinane-2,4,6-trione

C26H20N2O5 — CID 101222987

IUPAC5-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)oxymethylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=COC2=C3OC(c4ccccc4)=CC(c4ccccc4)=C3CCC2)C(=O)N1
InChIInChI=1S/C26H20N2O5/c29-24-20(25(30)28-26(31)27-24)15-32-21-13-7-12-18-19(16-8-3-1-4-9-16)14-22(33-23(18)21)17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2,(H2,27,28,29,30,31)
InChIKeyZRZKVLNQUDNPOY-UHFFFAOYSA-N
MW440.46 g/mol
LogP4.17
Rot. Bonds4

About 5-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)oxymethylidene]-1,3-diazinane-2,4,6-trione

5-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)oxymethylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 101222987) has the molecular formula C26H20N2O5 and a molecular weight of 440.46 g/mol. Its IUPAC name is 5-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)oxymethylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)oxymethylidene]-1,3-diazinane-2,4,6-trione
PubChem CID101222987
Molecular FormulaC26H20N2O5
Molecular Weight440.46 g/mol
Exact Mass440.14
IUPAC Name5-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)oxymethylidene]-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(=COC2=C3OC(c4ccccc4)=CC(c4ccccc4)=C3CCC2)C(=O)N1
InChIInChI=1S/C26H20N2O5/c29-24-20(25(30)28-26(31)27-24)15-32-21-13-7-12-18-19(16-8-3-1-4-9-16)14-22(33-23(18)21)17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2,(H2,27,28,29,30,31)
InChIKeyZRZKVLNQUDNPOY-UHFFFAOYSA-N
XLogP4.17
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)oxymethylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)oxymethylidene]-1,3-diazinane-2,4,6-trione (CID 101222987) is 5-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)oxymethylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)oxymethylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)oxymethylidene]-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(=COC2=C3OC(c4ccccc4)=CC(c4ccccc4)=C3CCC2)C(=O)N1.
What is the InChIKey of 5-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)oxymethylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is ZRZKVLNQUDNPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O5/c29-24-20(25(30)28-26(31)27-24)15-32-21-13-7-12-18-19(16-8-3-1-4-9-16)14-22(33-23(18)21)17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2,(H2,27,28,29,30,31).
What are the key properties of 5-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)oxymethylidene]-1,3-diazinane-2,4,6-trione?
5-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)oxymethylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 440.46 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-diphenyl-6,7-dihydro-5H-chromen-8-yl)oxymethylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 101222987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).