[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylsulfanyl)propyl]-methyl-trimethylsilyloxysilane;manganese(2+)

C44H48MnN8O3SSi4 — CID 140609578

About [dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylsulfanyl)propyl]-methyl-trimethylsilyloxysilane;manganese(2+)

[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylsulfanyl)propyl]-methyl-trimethylsilyloxysilane;manganese(2+) (PubChem CID 140609578) has the molecular formula C44H48MnN8O3SSi4 and a molecular weight of 936.27 g/mol. Its IUPAC name is [dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylsulfanyl)propyl]-methyl-trimethylsilyloxysilane;manganese(2+).

Molecular Properties

• Compound Name: [dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylsulfanyl)propyl]-methyl-trimethylsilyloxysilane;manganese(2+)
• PubChem CID: 140609578
• Molecular Formula: C44H48MnN8O3SSi4
• Molecular Weight: 936.27 g/mol
• Exact Mass: 935.20
• IUPAC Name: [dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylsulfanyl)propyl]-methyl-trimethylsilyloxysilane;manganese(2+)
• SMILES: C[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCSc1ccc2c3nc4nc(nc5[n-]c(nc6nc(nc([n-]3)c2c1)-c1ccccc1-6)c1ccccc51)-c1ccccc1-4)O[Si](C)(C)C.[Mn+2]
• InChI: InChI=1S/C44H48N8O3SSi4.Mn/c1-57(2,3)53-59(7,8)55-60(9,54-58(4,5)6)26-16-25-56-28-23-24-35-36(27-28)44-51-42-34-22-15-14-21-33(34)40(49-42)47-38-30-18-11-10-17-29(30)37(45-38)46-39-31-19-12-13-20-32(31)41(48-39)50-43(35)52-44;/h10-15,17-24,27H,16,25-26H2,1-9H3;/q-2;+2
• InChIKey: XOXYYBUWFUAFNK-UHFFFAOYSA-N
• XLogP: 11.10
• TPSA: 133.23 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	936.27
LogP ≤ 5	11.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylsulfanyl)propyl]-methyl-trimethylsilyloxysilane;manganese(2+)?

The IUPAC name of [dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylsulfanyl)propyl]-methyl-trimethylsilyloxysilane;manganese(2+) (CID 140609578) is [dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylsulfanyl)propyl]-methyl-trimethylsilyloxysilane;manganese(2+).

What is the SMILES notation for [dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylsulfanyl)propyl]-methyl-trimethylsilyloxysilane;manganese(2+)?

The canonical SMILES for [dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylsulfanyl)propyl]-methyl-trimethylsilyloxysilane;manganese(2+) is C[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCSc1ccc2c3nc4nc(nc5[n-]c(nc6nc(nc([n-]3)c2c1)-c1ccccc1-6)c1ccccc51)-c1ccccc1-4)O[Si](C)(C)C.[Mn+2].

What is the InChIKey of [dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylsulfanyl)propyl]-methyl-trimethylsilyloxysilane;manganese(2+)?

The InChIKey is XOXYYBUWFUAFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H48N8O3SSi4.Mn/c1-57(2,3)53-59(7,8)55-60(9,54-58(4,5)6)26-16-25-56-28-23-24-35-36(27-28)44-51-42-34-22-15-14-21-33(34)40(49-42)47-38-30-18-11-10-17-29(30)37(45-38)46-39-31-19-12-13-20-32(31)41(48-39)50-43(35)52-44;/h10-15,17-24,27H,16,25-26H2,1-9H3;/q-2;+2.

What are the key properties of [dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylsulfanyl)propyl]-methyl-trimethylsilyloxysilane;manganese(2+)?

[dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylsulfanyl)propyl]-methyl-trimethylsilyloxysilane;manganese(2+) has a molecular weight of 936.27 g/mol, XLogP of 11.10, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [dimethyl(trimethylsilyloxy)silyl]oxy-[3-(2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaen-6-ylsulfanyl)propyl]-methyl-trimethylsilyloxysilane;manganese(2+) is sourced from PubChem (CID 140609578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).