1,3-dimethyl-5-[(7-methyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-(3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-ylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(7,13-dimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[(7,7,13-trimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione

C106H88N12O12Se4 — CID 164975786

About 1,3-dimethyl-5-[(7-methyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-(3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-ylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(7,13-dimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[(7,7,13-trimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione

1,3-dimethyl-5-[(7-methyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-(3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-ylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(7,13-dimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[(7,7,13-trimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 164975786) has the molecular formula C106H88N12O12Se4 and a molecular weight of 2037.78 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(7-methyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-(3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-ylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(7,13-dimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[(7,7,13-trimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

• Compound Name: 1,3-dimethyl-5-[(7-methyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-(3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-ylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(7,13-dimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[(7,7,13-trimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione
• PubChem CID: 164975786
• Molecular Formula: C106H88N12O12Se4
• Molecular Weight: 2037.78 g/mol
• Exact Mass: 2040.33
• IUPAC Name: 1,3-dimethyl-5-[(7-methyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-(3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-ylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(7,13-dimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[(7,7,13-trimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione
• SMILES: CC1c2cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)[se]c2N2c3ccccc3Cc3cccc1c32.CC1c2ccccc2N2c3[se]c(C=C4C(=O)N(C)C(=O)N(C)C4=O)cc3C(C)(C)c3cccc1c32.CC1c2ccccc2N2c3[se]c(C=C4C(=O)N(C)C(=O)N(C)C4=O)cc3C(C)c3cccc1c32.CN1C(=O)C(=Cc2cc3c([se]2)N2c4ccccc4Cc4cccc(c42)C3)C(=O)N(C)C1=O
• InChI: InChI=1S/C28H25N3O3Se.C27H23N3O3Se.C26H21N3O3Se.C25H19N3O3Se/c1-15-17-9-6-7-12-22(17)31-23-18(15)10-8-11-20(23)28(2,3)21-14-16(35-26(21)31)13-19-24(32)29(4)27(34)30(5)25(19)33;1-14-17-8-5-6-11-22(17)30-23-18(14)9-7-10-19(23)15(2)20-12-16(34-26(20)30)13-21-24(31)28(3)27(33)29(4)25(21)32;1-14-18-9-6-8-16-11-15-7-4-5-10-21(15)29(22(16)18)25-19(14)12-17(33-25)13-20-23(30)27(2)26(32)28(3)24(20)31;1-26-22(29)19(23(30)27(2)25(26)31)13-18-12-17-11-16-8-5-7-15-10-14-6-3-4-9-20(14)28(21(15)16)24(17)32-18/h6-15H,1-5H3;5-15H,1-4H3;4-10,12-14H,11H2,1-3H3;3-9,12-13H,10-11H2,1-2H3
• InChIKey: DTIGGKSNLPJLTQ-UHFFFAOYSA-N
• XLogP: 16.80
• TPSA: 243.72 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 4
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2037.78
LogP ≤ 5	16.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

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'}

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(7-methyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-(3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-ylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(7,13-dimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[(7,7,13-trimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione?

The IUPAC name of 1,3-dimethyl-5-[(7-methyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-(3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-ylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(7,13-dimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[(7,7,13-trimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione (CID 164975786) is 1,3-dimethyl-5-[(7-methyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-(3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-ylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(7,13-dimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[(7,7,13-trimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione.

What is the SMILES notation for 1,3-dimethyl-5-[(7-methyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-(3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-ylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(7,13-dimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[(7,7,13-trimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione?

The canonical SMILES for 1,3-dimethyl-5-[(7-methyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-(3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-ylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(7,13-dimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[(7,7,13-trimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione is CC1c2cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)[se]c2N2c3ccccc3Cc3cccc1c32.CC1c2ccccc2N2c3[se]c(C=C4C(=O)N(C)C(=O)N(C)C4=O)cc3C(C)(C)c3cccc1c32.CC1c2ccccc2N2c3[se]c(C=C4C(=O)N(C)C(=O)N(C)C4=O)cc3C(C)c3cccc1c32.CN1C(=O)C(=Cc2cc3c([se]2)N2c4ccccc4Cc4cccc(c42)C3)C(=O)N(C)C1=O.

What is the InChIKey of 1,3-dimethyl-5-[(7-methyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-(3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-ylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(7,13-dimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[(7,7,13-trimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione?

The InChIKey is DTIGGKSNLPJLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3Se.C27H23N3O3Se.C26H21N3O3Se.C25H19N3O3Se/c1-15-17-9-6-7-12-22(17)31-23-18(15)10-8-11-20(23)28(2,3)21-14-16(35-26(21)31)13-19-24(32)29(4)27(34)30(5)25(19)33;1-14-17-8-5-6-11-22(17)30-23-18(14)9-7-10-19(23)15(2)20-12-16(34-26(20)30)13-21-24(31)28(3)27(33)29(4)25(21)32;1-14-18-9-6-8-16-11-15-7-4-5-10-21(15)29(22(16)18)25-19(14)12-17(33-25)13-20-23(30)27(2)26(32)28(3)24(20)31;1-26-22(29)19(23(30)27(2)25(26)31)13-18-12-17-11-16-8-5-7-15-10-14-6-3-4-9-20(14)28(21(15)16)24(17)32-18/h6-15H,1-5H3;5-15H,1-4H3;4-10,12-14H,11H2,1-3H3;3-9,12-13H,10-11H2,1-2H3.

What are the key properties of 1,3-dimethyl-5-[(7-methyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-(3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-ylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(7,13-dimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[(7,7,13-trimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione?

1,3-dimethyl-5-[(7-methyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-(3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-ylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(7,13-dimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[(7,7,13-trimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 2037.78 g/mol, XLogP of 16.80, 4 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-5-[(7-methyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-(3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-ylmethylidene)-1,3-diazinane-2,4,6-trione;5-[(7,13-dimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione;1,3-dimethyl-5-[(7,7,13-trimethyl-3-selena-1-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-2(6),4,8,10,12(20),14,16,18-octaen-4-yl)methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 164975786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).