(5E)-5-benzylidene-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione

C28H20N2O3 — CID 94849101

IUPAC(5E)-5-benzylidene-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione
SMILESCc1cccc(N2C(=O)/C(=C\c3ccccc3)C(=O)N(c3cccc4ccccc34)C2=O)c1
InChIInChI=1S/C28H20N2O3/c1-19-9-7-14-22(17-19)29-26(31)24(18-20-10-3-2-4-11-20)27(32)30(28(29)33)25-16-8-13-21-12-5-6-15-23(21)25/h2-18H,1H3/b24-18+
InChIKeyFPVJLLCVJKFVPQ-HKOYGPOVSA-N
MW432.48 g/mol
LogP5.73
Rot. Bonds3

About (5E)-5-benzylidene-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione

(5E)-5-benzylidene-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione (PubChem CID 94849101) has the molecular formula C28H20N2O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is (5E)-5-benzylidene-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5E)-5-benzylidene-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione
PubChem CID94849101
Molecular FormulaC28H20N2O3
Molecular Weight432.48 g/mol
Exact Mass432.15
IUPAC Name(5E)-5-benzylidene-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione
SMILESCc1cccc(N2C(=O)/C(=C\c3ccccc3)C(=O)N(c3cccc4ccccc34)C2=O)c1
InChIInChI=1S/C28H20N2O3/c1-19-9-7-14-22(17-19)29-26(31)24(18-20-10-3-2-4-11-20)27(32)30(28(29)33)25-16-8-13-21-12-5-6-15-23(21)25/h2-18H,1H3/b24-18+
InChIKeyFPVJLLCVJKFVPQ-HKOYGPOVSA-N
XLogP5.73
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (5E)-5-benzylidene-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5E)-5-benzylidene-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione (CID 94849101) is (5E)-5-benzylidene-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5E)-5-benzylidene-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5E)-5-benzylidene-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione is Cc1cccc(N2C(=O)/C(=C\c3ccccc3)C(=O)N(c3cccc4ccccc34)C2=O)c1.
What is the InChIKey of (5E)-5-benzylidene-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is FPVJLLCVJKFVPQ-HKOYGPOVSA-N. The full InChI is InChI=1S/C28H20N2O3/c1-19-9-7-14-22(17-19)29-26(31)24(18-20-10-3-2-4-11-20)27(32)30(28(29)33)25-16-8-13-21-12-5-6-15-23(21)25/h2-18H,1H3/b24-18+.
What are the key properties of (5E)-5-benzylidene-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione?
(5E)-5-benzylidene-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 432.48 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-1-(3-methylphenyl)-3-naphthalen-1-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 94849101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).