triethyl-[[6,9,21,30,33-pentakis(triethylsilyloxy)-15,24-diazadecacyclo[32.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33]tetrapentaconta-1(36),2(54),3,5(53),7,10(50),11,13(49),14,16,19,22,24,26,28,31,34,37,39,41,43,45,47,51-tetracosaen-18-yl]oxy]silane

C88H124N2O6Si6 — CID 166436621

About triethyl-[[6,9,21,30,33-pentakis(triethylsilyloxy)-15,24-diazadecacyclo[32.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33]tetrapentaconta-1(36),2(54),3,5(53),7,10(50),11,13(49),14,16,19,22,24,26,28,31,34,37,39,41,43,45,47,51-tetracosaen-18-yl]oxy]silane

triethyl-[[6,9,21,30,33-pentakis(triethylsilyloxy)-15,24-diazadecacyclo[32.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33]tetrapentaconta-1(36),2(54),3,5(53),7,10(50),11,13(49),14,16,19,22,24,26,28,31,34,37,39,41,43,45,47,51-tetracosaen-18-yl]oxy]silane (PubChem CID 166436621) has the molecular formula C88H124N2O6Si6 and a molecular weight of 1474.48 g/mol. Its IUPAC name is triethyl-[[6,9,21,30,33-pentakis(triethylsilyloxy)-15,24-diazadecacyclo[32.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33]tetrapentaconta-1(36),2(54),3,5(53),7,10(50),11,13(49),14,16,19,22,24,26,28,31,34,37,39,41,43,45,47,51-tetracosaen-18-yl]oxy]silane.

Molecular Properties

• Compound Name: triethyl-[[6,9,21,30,33-pentakis(triethylsilyloxy)-15,24-diazadecacyclo[32.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33]tetrapentaconta-1(36),2(54),3,5(53),7,10(50),11,13(49),14,16,19,22,24,26,28,31,34,37,39,41,43,45,47,51-tetracosaen-18-yl]oxy]silane
• PubChem CID: 166436621
• Molecular Formula: C88H124N2O6Si6
• Molecular Weight: 1474.48 g/mol
• Exact Mass: 1472.81
• IUPAC Name: triethyl-[[6,9,21,30,33-pentakis(triethylsilyloxy)-15,24-diazadecacyclo[32.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33]tetrapentaconta-1(36),2(54),3,5(53),7,10(50),11,13(49),14,16,19,22,24,26,28,31,34,37,39,41,43,45,47,51-tetracosaen-18-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(nc1)-c1ccc(cc1)C1(O[Si](CC)(CC)CC)C=CC(O[Si](CC)(CC)CC)(C=C1)c1ccc(cc1)-c1ccc2cc1
• InChI: InChI=1S/C88H124N2O6Si6/c1-19-97(20-2,21-3)91-83-57-61-85(62-58-83,93-99(25-7,26-8)27-9)77-49-41-73(42-50-77)81-55-53-79(69-89-81)87(95-101(31-13,32-14)33-15)65-67-88(68-66-87,96-102(34-16,35-17)36-18)80-54-56-82(90-70-80)74-43-51-78(52-44-74)86(94-100(28-10,29-11)30-12)63-59-84(60-64-86,92-98(22-4,23-5)24-6)76-47-39-72(40-48-76)71-37-45-75(83)46-38-71/h37-70H,19-36H2,1-18H3
• InChIKey: FIGVWAZDYXAUMD-UHFFFAOYSA-N
• XLogP: 25.57
• TPSA: 81.16 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 30
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1474.48
LogP ≤ 5	25.57
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-[[6,9,21,30,33-pentakis(triethylsilyloxy)-15,24-diazadecacyclo[32.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33]tetrapentaconta-1(36),2(54),3,5(53),7,10(50),11,13(49),14,16,19,22,24,26,28,31,34,37,39,41,43,45,47,51-tetracosaen-18-yl]oxy]silane?

The IUPAC name of triethyl-[[6,9,21,30,33-pentakis(triethylsilyloxy)-15,24-diazadecacyclo[32.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33]tetrapentaconta-1(36),2(54),3,5(53),7,10(50),11,13(49),14,16,19,22,24,26,28,31,34,37,39,41,43,45,47,51-tetracosaen-18-yl]oxy]silane (CID 166436621) is triethyl-[[6,9,21,30,33-pentakis(triethylsilyloxy)-15,24-diazadecacyclo[32.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33]tetrapentaconta-1(36),2(54),3,5(53),7,10(50),11,13(49),14,16,19,22,24,26,28,31,34,37,39,41,43,45,47,51-tetracosaen-18-yl]oxy]silane.

What is the SMILES notation for triethyl-[[6,9,21,30,33-pentakis(triethylsilyloxy)-15,24-diazadecacyclo[32.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33]tetrapentaconta-1(36),2(54),3,5(53),7,10(50),11,13(49),14,16,19,22,24,26,28,31,34,37,39,41,43,45,47,51-tetracosaen-18-yl]oxy]silane?

The canonical SMILES for triethyl-[[6,9,21,30,33-pentakis(triethylsilyloxy)-15,24-diazadecacyclo[32.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33]tetrapentaconta-1(36),2(54),3,5(53),7,10(50),11,13(49),14,16,19,22,24,26,28,31,34,37,39,41,43,45,47,51-tetracosaen-18-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(nc1)-c1ccc(cc1)C1(O[Si](CC)(CC)CC)C=CC(O[Si](CC)(CC)CC)(C=C1)c1ccc(cc1)-c1ccc2cc1.

What is the InChIKey of triethyl-[[6,9,21,30,33-pentakis(triethylsilyloxy)-15,24-diazadecacyclo[32.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33]tetrapentaconta-1(36),2(54),3,5(53),7,10(50),11,13(49),14,16,19,22,24,26,28,31,34,37,39,41,43,45,47,51-tetracosaen-18-yl]oxy]silane?

The InChIKey is FIGVWAZDYXAUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H124N2O6Si6/c1-19-97(20-2,21-3)91-83-57-61-85(62-58-83,93-99(25-7,26-8)27-9)77-49-41-73(42-50-77)81-55-53-79(69-89-81)87(95-101(31-13,32-14)33-15)65-67-88(68-66-87,96-102(34-16,35-17)36-18)80-54-56-82(90-70-80)74-43-51-78(52-44-74)86(94-100(28-10,29-11)30-12)63-59-84(60-64-86,92-98(22-4,23-5)24-6)76-47-39-72(40-48-76)71-37-45-75(83)46-38-71/h37-70H,19-36H2,1-18H3.

What are the key properties of triethyl-[[6,9,21,30,33-pentakis(triethylsilyloxy)-15,24-diazadecacyclo[32.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33]tetrapentaconta-1(36),2(54),3,5(53),7,10(50),11,13(49),14,16,19,22,24,26,28,31,34,37,39,41,43,45,47,51-tetracosaen-18-yl]oxy]silane?

triethyl-[[6,9,21,30,33-pentakis(triethylsilyloxy)-15,24-diazadecacyclo[32.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33]tetrapentaconta-1(36),2(54),3,5(53),7,10(50),11,13(49),14,16,19,22,24,26,28,31,34,37,39,41,43,45,47,51-tetracosaen-18-yl]oxy]silane has a molecular weight of 1474.48 g/mol, XLogP of 25.57, 30 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for triethyl-[[6,9,21,30,33-pentakis(triethylsilyloxy)-15,24-diazadecacyclo[32.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33]tetrapentaconta-1(36),2(54),3,5(53),7,10(50),11,13(49),14,16,19,22,24,26,28,31,34,37,39,41,43,45,47,51-tetracosaen-18-yl]oxy]silane is sourced from PubChem (CID 166436621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).