5-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

C27H20N2O4 — CID 2865430

IUPAC5-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESCc1ccccc1C1C(C=C2C(=O)NC(=O)NC2=O)=C(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C27H20N2O4/c1-16-9-5-6-12-18(16)23-19-13-7-8-14-22(19)33-24(17-10-3-2-4-11-17)20(23)15-21-25(30)28-27(32)29-26(21)31/h2-15,23H,1H3,(H2,28,29,30,31,32)
InChIKeyMAYYSCSVTBKIDJ-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.22
Rot. Bonds3

About 5-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

5-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 2865430) has the molecular formula C27H20N2O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is 5-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID2865430
Molecular FormulaC27H20N2O4
Molecular Weight436.47 g/mol
Exact Mass436.14
IUPAC Name5-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESCc1ccccc1C1C(C=C2C(=O)NC(=O)NC2=O)=C(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C27H20N2O4/c1-16-9-5-6-12-18(16)23-19-13-7-8-14-22(19)33-24(17-10-3-2-4-11-17)20(23)15-21-25(30)28-27(32)29-26(21)31/h2-15,23H,1H3,(H2,28,29,30,31,32)
InChIKeyMAYYSCSVTBKIDJ-UHFFFAOYSA-N
XLogP4.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', '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-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylidene]-1,3-diazinane-2,4,6-trione (CID 2865430) is 5-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylidene]-1,3-diazinane-2,4,6-trione is Cc1ccccc1C1C(C=C2C(=O)NC(=O)NC2=O)=C(c2ccccc2)Oc2ccccc21.
What is the InChIKey of 5-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is MAYYSCSVTBKIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O4/c1-16-9-5-6-12-18(16)23-19-13-7-8-14-22(19)33-24(17-10-3-2-4-11-17)20(23)15-21-25(30)28-27(32)29-26(21)31/h2-15,23H,1H3,(H2,28,29,30,31,32).
What are the key properties of 5-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylidene]-1,3-diazinane-2,4,6-trione?
5-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 436.47 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-methylphenyl)-2-phenyl-4H-chromen-3-yl]methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2865430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).