triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane

C62H72N2O6Si2 — CID 166436622

About triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane

triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane (PubChem CID 166436622) has the molecular formula C62H72N2O6Si2 and a molecular weight of 997.44 g/mol. Its IUPAC name is triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane.

Molecular Properties

• Compound Name: triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane
• PubChem CID: 166436622
• Molecular Formula: C62H72N2O6Si2
• Molecular Weight: 997.44 g/mol
• Exact Mass: 996.49
• IUPAC Name: triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane
• SMILES: CC[Si](CC)(CC)OC12C=CC(O[Si](CC)(CC)CC)(C=C1)c1ccc(nc1)-c1ccc(cc1)C1(OC)C=CC(OC)(C=C1)c1ccc(cc1)C1(OC)C=CC(OC)(C=C1)c1ccc(cc1)-c1ccc2cn1
• InChI: InChI=1S/C62H72N2O6Si2/c1-11-71(12-2,13-3)69-61-41-43-62(44-42-61,70-72(14-4,15-5)16-6)54-30-32-56(64-46-54)48-19-23-50(24-20-48)58(66-8)35-39-60(68-10,40-36-58)52-27-25-51(26-28-52)59(67-9)37-33-57(65-7,34-38-59)49-21-17-47(18-22-49)55-31-29-53(61)45-63-55/h17-46H,11-16H2,1-10H3
• InChIKey: MNHSOBHDTPAQPU-UHFFFAOYSA-N
• XLogP: 14.40
• TPSA: 81.16 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	997.44
LogP ≤ 5	14.40
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-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane?

The IUPAC name of triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane (CID 166436622) is triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane.

What is the SMILES notation for triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane?

The canonical SMILES for triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane is CC[Si](CC)(CC)OC12C=CC(O[Si](CC)(CC)CC)(C=C1)c1ccc(nc1)-c1ccc(cc1)C1(OC)C=CC(OC)(C=C1)c1ccc(cc1)C1(OC)C=CC(OC)(C=C1)c1ccc(cc1)-c1ccc2cn1.

What is the InChIKey of triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane?

The InChIKey is MNHSOBHDTPAQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H72N2O6Si2/c1-11-71(12-2,13-3)69-61-41-43-62(44-42-61,70-72(14-4,15-5)16-6)54-30-32-56(64-46-54)48-19-23-50(24-20-48)58(66-8)35-39-60(68-10,40-36-58)52-27-25-51(26-28-52)59(67-9)37-33-57(65-7,34-38-59)49-21-17-47(18-22-49)55-31-29-53(61)45-63-55/h17-46H,11-16H2,1-10H3.

What are the key properties of triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane?

triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane has a molecular weight of 997.44 g/mol, XLogP of 14.40, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane is sourced from PubChem (CID 166436622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).