1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-selanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

C129H99N15O12S2Se6 — CID 159670446

About 1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-selanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-selanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (PubChem CID 159670446) has the molecular formula C129H99N15O12S2Se6 and a molecular weight of 2589.20 g/mol. Its IUPAC name is 1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-selanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.

Molecular Properties

• Compound Name: 1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-selanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
• PubChem CID: 159670446
• Molecular Formula: C129H99N15O12S2Se6
• Molecular Weight: 2589.20 g/mol
• Exact Mass: 2593.20
• IUPAC Name: 1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-selanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
• SMILES: CN1C(=O)C(=Cc2ccc(N(c3ccccc3)c3cccc4ccccc34)[se]2)C(=O)N(C)C1=O.CN1C(=O)C(=Cc2ccc(N(c3ccccc3)c3cccc4ccccc34)[se]2)C(=O)N(C)C1=S.CN1C(=O)C(=Cc2ccc(N(c3ccccc3)c3cccc4ccccc34)[se]2)C(=O)N(C)C1=[Se].CN1C(=O)C(=Cc2ccc(N(c3ccccc3)c3ccccc3)[se]2)C(=O)N(C)C1=O.O=C1NC(=S)NC(=O)C1=Cc1ccc(N(c2ccccc2)c2cccc3ccccc23)[se]1
• InChI: InChI=1S/C27H21N3O3Se.C27H21N3O2SSe.C27H21N3O2Se2.C25H17N3O2SSe.C23H19N3O3Se/c3*1-28-25(31)22(26(32)29(2)27(28)33)17-20-15-16-24(34-20)30(19-11-4-3-5-12-19)23-14-8-10-18-9-6-7-13-21(18)23;29-23-20(24(30)27-25(31)26-23)15-18-13-14-22(32-18)28(17-9-2-1-3-10-17)21-12-6-8-16-7-4-5-11-19(16)21;1-24-21(27)19(22(28)25(2)23(24)29)15-18-13-14-20(30-18)26(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3*3-17H,1-2H3;1-15H,(H2,26,27,29,30,31);3-15H,1-2H3
• InChIKey: MTXXIVAYHSAQHG-UHFFFAOYSA-N
• XLogP: 21.63
• TPSA: 271.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2589.20
LogP ≤ 5	21.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-selanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?

The IUPAC name of 1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-selanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CID 159670446) is 1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-selanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.

What is the SMILES notation for 1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-selanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?

The canonical SMILES for 1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-selanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is CN1C(=O)C(=Cc2ccc(N(c3ccccc3)c3cccc4ccccc34)[se]2)C(=O)N(C)C1=O.CN1C(=O)C(=Cc2ccc(N(c3ccccc3)c3cccc4ccccc34)[se]2)C(=O)N(C)C1=S.CN1C(=O)C(=Cc2ccc(N(c3ccccc3)c3cccc4ccccc34)[se]2)C(=O)N(C)C1=[Se].CN1C(=O)C(=Cc2ccc(N(c3ccccc3)c3ccccc3)[se]2)C(=O)N(C)C1=O.O=C1NC(=S)NC(=O)C1=Cc1ccc(N(c2ccccc2)c2cccc3ccccc23)[se]1.

What is the InChIKey of 1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-selanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?

The InChIKey is MTXXIVAYHSAQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3Se.C27H21N3O2SSe.C27H21N3O2Se2.C25H17N3O2SSe.C23H19N3O3Se/c3*1-28-25(31)22(26(32)29(2)27(28)33)17-20-15-16-24(34-20)30(19-11-4-3-5-12-19)23-14-8-10-18-9-6-7-13-21(18)23;29-23-20(24(30)27-25(31)26-23)15-18-13-14-22(32-18)28(17-9-2-1-3-10-17)21-12-6-8-16-7-4-5-11-19(16)21;1-24-21(27)19(22(28)25(2)23(24)29)15-18-13-14-20(30-18)26(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3*3-17H,1-2H3;1-15H,(H2,26,27,29,30,31);3-15H,1-2H3.

What are the key properties of 1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-selanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?

1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-selanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione has a molecular weight of 2589.20 g/mol, XLogP of 21.63, 20 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-selanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;1,3-dimethyl-5-[[5-(N-phenylanilino)selenophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione;5-[[5-(N-naphthalen-1-ylanilino)selenophen-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is sourced from PubChem (CID 159670446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).