magnesium;carbanide;ethanol;1-ethoxy-2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethynyl]benzene;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;3-ethynyl-1,2,4,5-tetramethylbenzene-6-ide;1,2,3,4,5,6-hexamethylbenzene;hydride;hydroxymethyl 2-methylprop-2-enoate;methanethiol;bis(3-methylbut-3-en-2-one);2-methylbut-3-yn-2-ol;bis(1,2,3,4,5-pentamethylbenzene-6-ide);[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]phenoxy]methyl 2-methylprop-2-enoate;tritioethyne;tungsten

C180H250MgO16SW6-6 — CID 157084487

About magnesium;carbanide;ethanol;1-ethoxy-2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethynyl]benzene;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;3-ethynyl-1,2,4,5-tetramethylbenzene-6-ide;1,2,3,4,5,6-hexamethylbenzene;hydride;hydroxymethyl 2-methylprop-2-enoate;methanethiol;bis(3-methylbut-3-en-2-one);2-methylbut-3-yn-2-ol;bis(1,2,3,4,5-pentamethylbenzene-6-ide);[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]phenoxy]methyl 2-methylprop-2-enoate;tritioethyne;tungsten

magnesium;carbanide;ethanol;1-ethoxy-2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethynyl]benzene;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;3-ethynyl-1,2,4,5-tetramethylbenzene-6-ide;1,2,3,4,5,6-hexamethylbenzene;hydride;hydroxymethyl 2-methylprop-2-enoate;methanethiol;bis(3-methylbut-3-en-2-one);2-methylbut-3-yn-2-ol;bis(1,2,3,4,5-pentamethylbenzene-6-ide);[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]phenoxy]methyl 2-methylprop-2-enoate;tritioethyne;tungsten (PubChem CID 157084487) has the molecular formula C180H250MgO16SW6-6 and a molecular weight of 3831.38 g/mol. Its IUPAC name is magnesium;carbanide;ethanol;1-ethoxy-2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethynyl]benzene;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;3-ethynyl-1,2,4,5-tetramethylbenzene-6-ide;1,2,3,4,5,6-hexamethylbenzene;hydride;hydroxymethyl 2-methylprop-2-enoate;methanethiol;bis(3-methylbut-3-en-2-one);2-methylbut-3-yn-2-ol;bis(1,2,3,4,5-pentamethylbenzene-6-ide);[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]phenoxy]methyl 2-methylprop-2-enoate;tritioethyne;tungsten.

Molecular Properties

• Compound Name: magnesium;carbanide;ethanol;1-ethoxy-2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethynyl]benzene;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;3-ethynyl-1,2,4,5-tetramethylbenzene-6-ide;1,2,3,4,5,6-hexamethylbenzene;hydride;hydroxymethyl 2-methylprop-2-enoate;methanethiol;bis(3-methylbut-3-en-2-one);2-methylbut-3-yn-2-ol;bis(1,2,3,4,5-pentamethylbenzene-6-ide);[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]phenoxy]methyl 2-methylprop-2-enoate;tritioethyne;tungsten
• PubChem CID: 157084487
• Molecular Formula: C180H250MgO16SW6-6
• Molecular Weight: 3831.38 g/mol
• Exact Mass: 3829.55
• IUPAC Name: magnesium;carbanide;ethanol;1-ethoxy-2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethynyl]benzene;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;3-ethynyl-1,2,4,5-tetramethylbenzene-6-ide;1,2,3,4,5,6-hexamethylbenzene;hydride;hydroxymethyl 2-methylprop-2-enoate;methanethiol;bis(3-methylbut-3-en-2-one);2-methylbut-3-yn-2-ol;bis(1,2,3,4,5-pentamethylbenzene-6-ide);[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]phenoxy]methyl 2-methylprop-2-enoate;tritioethyne;tungsten
• SMILES: C#CC(C)(C)O.C#Cc1c(C)c(C)[c-]c(C)c1C.C=C(C)C(=O)OCO.C=C(C)C(=O)OCOc1c(C)c(C)c(C#Cc2c(C)c(C)c(C#Cc3c(C)c(C)[c-]c(C)c3C)c(C)c2C)c(C)c1C.C=C(C)C(C)=O.C=C(C)C(C)=O.CCO.CCO.CCO.CCO.CCO.CCOc1c(C)c(C)c(C#Cc2c(C)c(C)c(C#Cc3c(C)c(C)[c-]c(C)c3C)c(C)c2C)c(C)c1C.CCOc1c(C)c(C)c(C#Cc2c(C)c(C)c(C)c(C)c2C)c(C)c1C.CS.Cc1[c-]c(C)c(C)c(C)c1C.Cc1[c-]c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.[3H]C#C.[CH3-].[H-].[H-].[Mg+2].[W].[W].[W].[W].[W].[W]
• InChI: InChI=1S/C39H43O3.C36H41O.C25H32O.C12H18.C12H13.2C11H15.C5H8O3.3C5H8O.5C2H6O.C2H2.CH4S.CH3.Mg.6W.2H/c1-21(2)39(40)42-20-41-38-32(13)30(11)37(31(12)33(38)14)18-17-36-28(9)26(7)35(27(8)29(36)10)16-15-34-24(5)22(3)19-23(4)25(34)6;1-14-37-36-30(12)28(10)35(29(11)31(36)13)18-17-34-26(8)24(6)33(25(7)27(34)9)16-15-32-22(4)20(2)19-21(3)23(32)5;1-11-26-25-21(9)19(7)24(20(8)22(25)10)13-12-23-17(5)15(3)14(2)16(4)18(23)6;1-7-8(2)10(4)12(6)11(5)9(7)3;1-6-12-10(4)8(2)7-9(3)11(12)5;2*1-7-6-8(2)10(4)11(5)9(7)3;1-4(2)5(7)8-3-6;1-4-5(2,3)6;2*1-4(2)5(3)6;5*1-2-3;2*1-2;;;;;;;;;;/h1,20H2,2-14H3;14H2,1-13H3;11H2,1-10H3;1-6H3;1H,2-5H3;2*1-5H3;6H,1,3H2,2H3;1,6H,2-3H3;2*1H2,2-3H3;5*3H,2H2,1H3;1-2H;2H,1H3;1H3;;;;;;;;;/q2*-1;;;3*-1;;;;;;;;;;;;-1;+2;;;;;;;2*-1/i;;;;;;;;;;;;;;;;1T
• InChIKey: ZVECDMCBRSKRMX-DDMQYFRFSA-N
• XLogP: 39.20
• TPSA: 256.04 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3831.38
LogP ≤ 5	39.20
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;carbanide;ethanol;1-ethoxy-2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethynyl]benzene;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;3-ethynyl-1,2,4,5-tetramethylbenzene-6-ide;1,2,3,4,5,6-hexamethylbenzene;hydride;hydroxymethyl 2-methylprop-2-enoate;methanethiol;bis(3-methylbut-3-en-2-one);2-methylbut-3-yn-2-ol;bis(1,2,3,4,5-pentamethylbenzene-6-ide);[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]phenoxy]methyl 2-methylprop-2-enoate;tritioethyne;tungsten?

The IUPAC name of magnesium;carbanide;ethanol;1-ethoxy-2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethynyl]benzene;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;3-ethynyl-1,2,4,5-tetramethylbenzene-6-ide;1,2,3,4,5,6-hexamethylbenzene;hydride;hydroxymethyl 2-methylprop-2-enoate;methanethiol;bis(3-methylbut-3-en-2-one);2-methylbut-3-yn-2-ol;bis(1,2,3,4,5-pentamethylbenzene-6-ide);[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]phenoxy]methyl 2-methylprop-2-enoate;tritioethyne;tungsten (CID 157084487) is magnesium;carbanide;ethanol;1-ethoxy-2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethynyl]benzene;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;3-ethynyl-1,2,4,5-tetramethylbenzene-6-ide;1,2,3,4,5,6-hexamethylbenzene;hydride;hydroxymethyl 2-methylprop-2-enoate;methanethiol;bis(3-methylbut-3-en-2-one);2-methylbut-3-yn-2-ol;bis(1,2,3,4,5-pentamethylbenzene-6-ide);[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]phenoxy]methyl 2-methylprop-2-enoate;tritioethyne;tungsten.

What is the SMILES notation for magnesium;carbanide;ethanol;1-ethoxy-2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethynyl]benzene;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;3-ethynyl-1,2,4,5-tetramethylbenzene-6-ide;1,2,3,4,5,6-hexamethylbenzene;hydride;hydroxymethyl 2-methylprop-2-enoate;methanethiol;bis(3-methylbut-3-en-2-one);2-methylbut-3-yn-2-ol;bis(1,2,3,4,5-pentamethylbenzene-6-ide);[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]phenoxy]methyl 2-methylprop-2-enoate;tritioethyne;tungsten?

The canonical SMILES for magnesium;carbanide;ethanol;1-ethoxy-2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethynyl]benzene;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;3-ethynyl-1,2,4,5-tetramethylbenzene-6-ide;1,2,3,4,5,6-hexamethylbenzene;hydride;hydroxymethyl 2-methylprop-2-enoate;methanethiol;bis(3-methylbut-3-en-2-one);2-methylbut-3-yn-2-ol;bis(1,2,3,4,5-pentamethylbenzene-6-ide);[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]phenoxy]methyl 2-methylprop-2-enoate;tritioethyne;tungsten is C#CC(C)(C)O.C#Cc1c(C)c(C)[c-]c(C)c1C.C=C(C)C(=O)OCO.C=C(C)C(=O)OCOc1c(C)c(C)c(C#Cc2c(C)c(C)c(C#Cc3c(C)c(C)[c-]c(C)c3C)c(C)c2C)c(C)c1C.C=C(C)C(C)=O.C=C(C)C(C)=O.CCO.CCO.CCO.CCO.CCO.CCOc1c(C)c(C)c(C#Cc2c(C)c(C)c(C#Cc3c(C)c(C)[c-]c(C)c3C)c(C)c2C)c(C)c1C.CCOc1c(C)c(C)c(C#Cc2c(C)c(C)c(C)c(C)c2C)c(C)c1C.CS.Cc1[c-]c(C)c(C)c(C)c1C.Cc1[c-]c(C)c(C)c(C)c1C.Cc1c(C)c(C)c(C)c(C)c1C.[3H]C#C.[CH3-].[H-].[H-].[Mg+2].[W].[W].[W].[W].[W].[W].

What is the InChIKey of magnesium;carbanide;ethanol;1-ethoxy-2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethynyl]benzene;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;3-ethynyl-1,2,4,5-tetramethylbenzene-6-ide;1,2,3,4,5,6-hexamethylbenzene;hydride;hydroxymethyl 2-methylprop-2-enoate;methanethiol;bis(3-methylbut-3-en-2-one);2-methylbut-3-yn-2-ol;bis(1,2,3,4,5-pentamethylbenzene-6-ide);[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]phenoxy]methyl 2-methylprop-2-enoate;tritioethyne;tungsten?

The InChIKey is ZVECDMCBRSKRMX-DDMQYFRFSA-N. The full InChI is InChI=1S/C39H43O3.C36H41O.C25H32O.C12H18.C12H13.2C11H15.C5H8O3.3C5H8O.5C2H6O.C2H2.CH4S.CH3.Mg.6W.2H/c1-21(2)39(40)42-20-41-38-32(13)30(11)37(31(12)33(38)14)18-17-36-28(9)26(7)35(27(8)29(36)10)16-15-34-24(5)22(3)19-23(4)25(34)6;1-14-37-36-30(12)28(10)35(29(11)31(36)13)18-17-34-26(8)24(6)33(25(7)27(34)9)16-15-32-22(4)20(2)19-21(3)23(32)5;1-11-26-25-21(9)19(7)24(20(8)22(25)10)13-12-23-17(5)15(3)14(2)16(4)18(23)6;1-7-8(2)10(4)12(6)11(5)9(7)3;1-6-12-10(4)8(2)7-9(3)11(12)5;2*1-7-6-8(2)10(4)11(5)9(7)3;1-4(2)5(7)8-3-6;1-4-5(2,3)6;2*1-4(2)5(3)6;5*1-2-3;2*1-2;;;;;;;;;;/h1,20H2,2-14H3;14H2,1-13H3;11H2,1-10H3;1-6H3;1H,2-5H3;2*1-5H3;6H,1,3H2,2H3;1,6H,2-3H3;2*1H2,2-3H3;5*3H,2H2,1H3;1-2H;2H,1H3;1H3;;;;;;;;;/q2*-1;;;3*-1;;;;;;;;;;;;-1;+2;;;;;;;2*-1/i;;;;;;;;;;;;;;;;1T;;;;;;;;;;;.

What are the key properties of magnesium;carbanide;ethanol;1-ethoxy-2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethynyl]benzene;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;3-ethynyl-1,2,4,5-tetramethylbenzene-6-ide;1,2,3,4,5,6-hexamethylbenzene;hydride;hydroxymethyl 2-methylprop-2-enoate;methanethiol;bis(3-methylbut-3-en-2-one);2-methylbut-3-yn-2-ol;bis(1,2,3,4,5-pentamethylbenzene-6-ide);[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]phenoxy]methyl 2-methylprop-2-enoate;tritioethyne;tungsten?

magnesium;carbanide;ethanol;1-ethoxy-2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethynyl]benzene;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;3-ethynyl-1,2,4,5-tetramethylbenzene-6-ide;1,2,3,4,5,6-hexamethylbenzene;hydride;hydroxymethyl 2-methylprop-2-enoate;methanethiol;bis(3-methylbut-3-en-2-one);2-methylbut-3-yn-2-ol;bis(1,2,3,4,5-pentamethylbenzene-6-ide);[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]phenoxy]methyl 2-methylprop-2-enoate;tritioethyne;tungsten has a molecular weight of 3831.38 g/mol, XLogP of 39.20, 12 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;carbanide;ethanol;1-ethoxy-2,3,5,6-tetramethyl-4-[2-(2,3,4,5,6-pentamethylphenyl)ethynyl]benzene;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]benzene;3-ethynyl-1,2,4,5-tetramethylbenzene-6-ide;1,2,3,4,5,6-hexamethylbenzene;hydride;hydroxymethyl 2-methylprop-2-enoate;methanethiol;bis(3-methylbut-3-en-2-one);2-methylbut-3-yn-2-ol;bis(1,2,3,4,5-pentamethylbenzene-6-ide);[2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-[2-(2,3,5,6-tetramethylbenzene-4-id-1-yl)ethynyl]phenyl]ethynyl]phenoxy]methyl 2-methylprop-2-enoate;tritioethyne;tungsten is sourced from PubChem (CID 157084487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).