2-(2-acetyloxyethyl)-5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-(2-acetyloxyethyl)-2-ethyl-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-ethyl-2-(methoxymethyl)-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-(methoxymethyl)-2-methyl-6-oxo-1,3-dioxin-4-olate;bis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol)

C146H128N4O42 — CID 157479505

About 2-(2-acetyloxyethyl)-5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-(2-acetyloxyethyl)-2-ethyl-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-ethyl-2-(methoxymethyl)-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-(methoxymethyl)-2-methyl-6-oxo-1,3-dioxin-4-olate;bis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol)

2-(2-acetyloxyethyl)-5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-(2-acetyloxyethyl)-2-ethyl-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-ethyl-2-(methoxymethyl)-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-(methoxymethyl)-2-methyl-6-oxo-1,3-dioxin-4-olate;bis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol) (PubChem CID 157479505) has the molecular formula C146H128N4O42 and a molecular weight of 2610.62 g/mol. Its IUPAC name is 2-(2-acetyloxyethyl)-5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-(2-acetyloxyethyl)-2-ethyl-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-ethyl-2-(methoxymethyl)-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-(methoxymethyl)-2-methyl-6-oxo-1,3-dioxin-4-olate;bis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol).

Molecular Properties

• Compound Name: 2-(2-acetyloxyethyl)-5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-(2-acetyloxyethyl)-2-ethyl-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-ethyl-2-(methoxymethyl)-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-(methoxymethyl)-2-methyl-6-oxo-1,3-dioxin-4-olate;bis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol)
• PubChem CID: 157479505
• Molecular Formula: C146H128N4O42
• Molecular Weight: 2610.62 g/mol
• Exact Mass: 2608.80
• IUPAC Name: 2-(2-acetyloxyethyl)-5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-(2-acetyloxyethyl)-2-ethyl-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-ethyl-2-(methoxymethyl)-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-(methoxymethyl)-2-methyl-6-oxo-1,3-dioxin-4-olate;bis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol)
• SMILES: CCC1(CCOC(C)=O)OC(=O)C(/C=C/C=C/C=C2C(=O)OC3(CCC4(CC3)OC(=O)C(=C/C=C/C=C/C3=C([O-])OC(C)(CCOC(C)=O)OC3=O)C(=O)O4)OC2=O)=C([O-])O1.CCC1(COC)OC(=O)C(/C=C/C=C/C=C2C(=O)OC3(CCC4(CC3)OC(=O)C(=C/C=C/C=C/C3=C([O-])OC(C)(COC)OC3=O)C(=O)O4)OC2=O)=C([O-])O1.Oc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)c(-c5ccccc5)c4)cc3)cc2)cc1-c1ccccc1.Oc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)c(-c5ccccc5)c4)cc3)cc2)cc1-c1ccccc1
• InChI: InChI=1S/C41H42O20.C37H38O18.2C34H24N2O2/c1-5-39(21-23-53-25(3)43)56-32(46)27(33(47)57-39)13-9-7-11-15-29-36(50)60-41(61-37(29)51)18-16-40(17-19-41)58-34(48)28(35(49)59-40)14-10-6-8-12-26-30(44)54-38(4,55-31(26)45)20-22-52-24(2)42;1-5-35(21-47-4)50-28(40)23(29(41)51-35)13-9-7-11-15-25-32(44)54-37(55-33(25)45)18-16-36(17-19-37)52-30(42)24(31(43)53-36)14-10-6-8-12-22-26(38)48-34(2,20-46-3)49-27(22)39;2*37-33-13-11-29(23-31(33)27-7-3-1-4-8-27)35-19-15-25(16-20-35)26-17-21-36(22-18-26)30-12-14-34(38)32(24-30)28-9-5-2-6-10-28/h6-15,44,46H,5,16-23H2,1-4H3;6-15,38,40H,5,16-21H2,1-4H3;2*1-24H/b10-6+,11-7+,12-8+,13-9+,28-14-,29-15-;10-6+,11-7+,12-8+,13-9+,24-14-,25-15-
• InChIKey: BVZOZYBRBDHOMB-ANYBOYBYSA-N
• XLogP: 15.19
• TPSA: 612.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 42
• Rotatable Bonds: 34
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2610.62
LogP ≤ 5	15.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyloxyethyl)-5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-(2-acetyloxyethyl)-2-ethyl-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-ethyl-2-(methoxymethyl)-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-(methoxymethyl)-2-methyl-6-oxo-1,3-dioxin-4-olate;bis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol)?

The IUPAC name of 2-(2-acetyloxyethyl)-5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-(2-acetyloxyethyl)-2-ethyl-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-ethyl-2-(methoxymethyl)-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-(methoxymethyl)-2-methyl-6-oxo-1,3-dioxin-4-olate;bis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol) (CID 157479505) is 2-(2-acetyloxyethyl)-5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-(2-acetyloxyethyl)-2-ethyl-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-ethyl-2-(methoxymethyl)-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-(methoxymethyl)-2-methyl-6-oxo-1,3-dioxin-4-olate;bis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol).

What is the SMILES notation for 2-(2-acetyloxyethyl)-5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-(2-acetyloxyethyl)-2-ethyl-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-ethyl-2-(methoxymethyl)-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-(methoxymethyl)-2-methyl-6-oxo-1,3-dioxin-4-olate;bis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol)?

The canonical SMILES for 2-(2-acetyloxyethyl)-5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-(2-acetyloxyethyl)-2-ethyl-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-ethyl-2-(methoxymethyl)-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-(methoxymethyl)-2-methyl-6-oxo-1,3-dioxin-4-olate;bis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol) is CCC1(CCOC(C)=O)OC(=O)C(/C=C/C=C/C=C2C(=O)OC3(CCC4(CC3)OC(=O)C(=C/C=C/C=C/C3=C([O-])OC(C)(CCOC(C)=O)OC3=O)C(=O)O4)OC2=O)=C([O-])O1.CCC1(COC)OC(=O)C(/C=C/C=C/C=C2C(=O)OC3(CCC4(CC3)OC(=O)C(=C/C=C/C=C/C3=C([O-])OC(C)(COC)OC3=O)C(=O)O4)OC2=O)=C([O-])O1.Oc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)c(-c5ccccc5)c4)cc3)cc2)cc1-c1ccccc1.Oc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)c(-c5ccccc5)c4)cc3)cc2)cc1-c1ccccc1.

What is the InChIKey of 2-(2-acetyloxyethyl)-5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-(2-acetyloxyethyl)-2-ethyl-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-ethyl-2-(methoxymethyl)-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-(methoxymethyl)-2-methyl-6-oxo-1,3-dioxin-4-olate;bis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol)?

The InChIKey is BVZOZYBRBDHOMB-ANYBOYBYSA-N. The full InChI is InChI=1S/C41H42O20.C37H38O18.2C34H24N2O2/c1-5-39(21-23-53-25(3)43)56-32(46)27(33(47)57-39)13-9-7-11-15-29-36(50)60-41(61-37(29)51)18-16-40(17-19-41)58-34(48)28(35(49)59-40)14-10-6-8-12-26-30(44)54-38(4,55-31(26)45)20-22-52-24(2)42;1-5-35(21-47-4)50-28(40)23(29(41)51-35)13-9-7-11-15-25-32(44)54-37(55-33(25)45)18-16-36(17-19-37)52-30(42)24(31(43)53-36)14-10-6-8-12-22-26(38)48-34(2,20-46-3)49-27(22)39;2*37-33-13-11-29(23-31(33)27-7-3-1-4-8-27)35-19-15-25(16-20-35)26-17-21-36(22-18-26)30-12-14-34(38)32(24-30)28-9-5-2-6-10-28/h6-15,44,46H,5,16-23H2,1-4H3;6-15,38,40H,5,16-21H2,1-4H3;2*1-24H/b10-6+,11-7+,12-8+,13-9+,28-14-,29-15-;10-6+,11-7+,12-8+,13-9+,24-14-,25-15-;;.

What are the key properties of 2-(2-acetyloxyethyl)-5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-(2-acetyloxyethyl)-2-ethyl-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-ethyl-2-(methoxymethyl)-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-(methoxymethyl)-2-methyl-6-oxo-1,3-dioxin-4-olate;bis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol)?

2-(2-acetyloxyethyl)-5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-(2-acetyloxyethyl)-2-ethyl-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-ethyl-2-(methoxymethyl)-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-(methoxymethyl)-2-methyl-6-oxo-1,3-dioxin-4-olate;bis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol) has a molecular weight of 2610.62 g/mol, XLogP of 15.19, 34 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-acetyloxyethyl)-5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-(2-acetyloxyethyl)-2-ethyl-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-methyl-6-oxo-1,3-dioxin-4-olate;5-[(1E,3E)-5-[12-[(2E,4E)-5-[2-ethyl-2-(methoxymethyl)-4-oxido-6-oxo-1,3-dioxin-5-yl]penta-2,4-dienylidene]-2,4,11,13-tetraoxo-1,5,10,14-tetraoxadispiro[5.2.59.26]hexadecan-3-ylidene]penta-1,3-dienyl]-2-(methoxymethyl)-2-methyl-6-oxo-1,3-dioxin-4-olate;bis(4-[4-[1-(4-hydroxy-3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-2-phenylphenol) is sourced from PubChem (CID 157479505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).