triethyl-[[1,10,18,21,30-pentakis(triethylsilyloxy)-7,24-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14(42),15,17(41),19,22,24,26,28,31,33,35,37,39,43,45-henicosaen-13-yl]oxy]silane

C82H120N2O6Si6 — CID 166436623

About triethyl-[[1,10,18,21,30-pentakis(triethylsilyloxy)-7,24-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14(42),15,17(41),19,22,24,26,28,31,33,35,37,39,43,45-henicosaen-13-yl]oxy]silane

triethyl-[[1,10,18,21,30-pentakis(triethylsilyloxy)-7,24-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14(42),15,17(41),19,22,24,26,28,31,33,35,37,39,43,45-henicosaen-13-yl]oxy]silane (PubChem CID 166436623) has the molecular formula C82H120N2O6Si6 and a molecular weight of 1398.39 g/mol. Its IUPAC name is triethyl-[[1,10,18,21,30-pentakis(triethylsilyloxy)-7,24-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14(42),15,17(41),19,22,24,26,28,31,33,35,37,39,43,45-henicosaen-13-yl]oxy]silane.

Molecular Properties

• Compound Name: triethyl-[[1,10,18,21,30-pentakis(triethylsilyloxy)-7,24-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14(42),15,17(41),19,22,24,26,28,31,33,35,37,39,43,45-henicosaen-13-yl]oxy]silane
• PubChem CID: 166436623
• Molecular Formula: C82H120N2O6Si6
• Molecular Weight: 1398.39 g/mol
• Exact Mass: 1396.78
• IUPAC Name: triethyl-[[1,10,18,21,30-pentakis(triethylsilyloxy)-7,24-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14(42),15,17(41),19,22,24,26,28,31,33,35,37,39,43,45-henicosaen-13-yl]oxy]silane
• SMILES: CC[Si](CC)(CC)OC12C=CC(O[Si](CC)(CC)CC)(C=C1)c1ccc(cc1)-c1ccc(cn1)C1(O[Si](CC)(CC)CC)C=CC(O[Si](CC)(CC)CC)(C=C1)c1ccc(cc1)C1(O[Si](CC)(CC)CC)C=CC(O[Si](CC)(CC)CC)(C=C1)c1ccc(nc1)-c1ccc2cc1
• InChI: InChI=1S/C82H120N2O6Si6/c1-19-91(20-2,21-3)85-77-53-55-78(56-54-77,86-92(22-4,23-5)24-6)70-43-39-68(40-44-70)76-52-50-74(66-84-76)82(90-96(34-16,35-17)36-18)63-59-80(60-64-82,88-94(28-10,29-11)30-12)72-47-45-71(46-48-72)79(87-93(25-7,26-8)27-9)57-61-81(62-58-79,89-95(31-13,32-14)33-15)73-49-51-75(83-65-73)67-37-41-69(77)42-38-67/h37-66H,19-36H2,1-18H3
• InChIKey: YFIGDWUILDXREF-UHFFFAOYSA-N
• XLogP: 23.91
• TPSA: 81.16 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 30
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1398.39
LogP ≤ 5	23.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of triethyl-[[1,10,18,21,30-pentakis(triethylsilyloxy)-7,24-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14(42),15,17(41),19,22,24,26,28,31,33,35,37,39,43,45-henicosaen-13-yl]oxy]silane?

The IUPAC name of triethyl-[[1,10,18,21,30-pentakis(triethylsilyloxy)-7,24-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14(42),15,17(41),19,22,24,26,28,31,33,35,37,39,43,45-henicosaen-13-yl]oxy]silane (CID 166436623) is triethyl-[[1,10,18,21,30-pentakis(triethylsilyloxy)-7,24-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14(42),15,17(41),19,22,24,26,28,31,33,35,37,39,43,45-henicosaen-13-yl]oxy]silane.

What is the SMILES notation for triethyl-[[1,10,18,21,30-pentakis(triethylsilyloxy)-7,24-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14(42),15,17(41),19,22,24,26,28,31,33,35,37,39,43,45-henicosaen-13-yl]oxy]silane?

The canonical SMILES for triethyl-[[1,10,18,21,30-pentakis(triethylsilyloxy)-7,24-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14(42),15,17(41),19,22,24,26,28,31,33,35,37,39,43,45-henicosaen-13-yl]oxy]silane is CC[Si](CC)(CC)OC12C=CC(O[Si](CC)(CC)CC)(C=C1)c1ccc(cc1)-c1ccc(cn1)C1(O[Si](CC)(CC)CC)C=CC(O[Si](CC)(CC)CC)(C=C1)c1ccc(cc1)C1(O[Si](CC)(CC)CC)C=CC(O[Si](CC)(CC)CC)(C=C1)c1ccc(nc1)-c1ccc2cc1.

What is the InChIKey of triethyl-[[1,10,18,21,30-pentakis(triethylsilyloxy)-7,24-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14(42),15,17(41),19,22,24,26,28,31,33,35,37,39,43,45-henicosaen-13-yl]oxy]silane?

The InChIKey is YFIGDWUILDXREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H120N2O6Si6/c1-19-91(20-2,21-3)85-77-53-55-78(56-54-77,86-92(22-4,23-5)24-6)70-43-39-68(40-44-70)76-52-50-74(66-84-76)82(90-96(34-16,35-17)36-18)63-59-80(60-64-82,88-94(28-10,29-11)30-12)72-47-45-71(46-48-72)79(87-93(25-7,26-8)27-9)57-61-81(62-58-79,89-95(31-13,32-14)33-15)73-49-51-75(83-65-73)67-37-41-69(77)42-38-67/h37-66H,19-36H2,1-18H3.

What are the key properties of triethyl-[[1,10,18,21,30-pentakis(triethylsilyloxy)-7,24-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14(42),15,17(41),19,22,24,26,28,31,33,35,37,39,43,45-henicosaen-13-yl]oxy]silane?

triethyl-[[1,10,18,21,30-pentakis(triethylsilyloxy)-7,24-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14(42),15,17(41),19,22,24,26,28,31,33,35,37,39,43,45-henicosaen-13-yl]oxy]silane has a molecular weight of 1398.39 g/mol, XLogP of 23.91, 30 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for triethyl-[[1,10,18,21,30-pentakis(triethylsilyloxy)-7,24-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14(42),15,17(41),19,22,24,26,28,31,33,35,37,39,43,45-henicosaen-13-yl]oxy]silane is sourced from PubChem (CID 166436623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).