trimethyl-[[38-[methyl-bis(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3,6,12,15,21,24,30,33-octakis(methylsulfanyl)-9,18,27,36,37,39,40,41-octaza-38-stannadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaen-38-yl]oxy]silane

C52H52F10N8O2S8Si2Sn — CID 161229200

About trimethyl-[[38-[methyl-bis(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3,6,12,15,21,24,30,33-octakis(methylsulfanyl)-9,18,27,36,37,39,40,41-octaza-38-stannadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaen-38-yl]oxy]silane

trimethyl-[[38-[methyl-bis(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3,6,12,15,21,24,30,33-octakis(methylsulfanyl)-9,18,27,36,37,39,40,41-octaza-38-stannadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaen-38-yl]oxy]silane (PubChem CID 161229200) has the molecular formula C52H52F10N8O2S8Si2Sn and a molecular weight of 1442.44 g/mol. Its IUPAC name is trimethyl-[[38-[methyl-bis(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3,6,12,15,21,24,30,33-octakis(methylsulfanyl)-9,18,27,36,37,39,40,41-octaza-38-stannadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaen-38-yl]oxy]silane.

Molecular Properties

• Compound Name: trimethyl-[[38-[methyl-bis(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3,6,12,15,21,24,30,33-octakis(methylsulfanyl)-9,18,27,36,37,39,40,41-octaza-38-stannadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaen-38-yl]oxy]silane
• PubChem CID: 161229200
• Molecular Formula: C52H52F10N8O2S8Si2Sn
• Molecular Weight: 1442.44 g/mol
• Exact Mass: 1442.04
• IUPAC Name: trimethyl-[[38-[methyl-bis(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3,6,12,15,21,24,30,33-octakis(methylsulfanyl)-9,18,27,36,37,39,40,41-octaza-38-stannadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaen-38-yl]oxy]silane
• SMILES: CSc1ccc(SC)c2c1C1=N/C2=N\c2c3c(SC)ccc(SC)c3c3n2[Sn](O[Si](C)(C)C)(O[Si](C)(CCC(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)F)n2/c(c4c(SC)ccc(SC)c4/c2=N/C2=N/C(=N\3)c3c(SC)ccc(SC)c32)=N\1
• InChI: InChI=1S/C40H32N8S8.C9H11F10OSi.C3H9OSi.Sn/c1-49-17-9-10-18(50-2)26-25(17)33-41-34(26)46-36-29-21(53-5)13-14-22(54-6)30(29)38(43-36)48-40-32-24(56-8)16-15-23(55-7)31(32)39(44-40)47-37-28-20(52-4)12-11-19(51-3)27(28)35(42-37)45-33;1-21(20,4-2-6(10,11)8(14,15)16)5-3-7(12,13)9(17,18)19;1-5(2,3)4;/h9-16H,1-8H3;2-5H2,1H3;1-3H3;/q-2;2*-1;+4
• InChIKey: UYNIHVGTQLPKJJ-UHFFFAOYSA-N
• XLogP: 16.77
• TPSA: 102.48 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1442.44
LogP ≤ 5	16.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[38-[methyl-bis(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3,6,12,15,21,24,30,33-octakis(methylsulfanyl)-9,18,27,36,37,39,40,41-octaza-38-stannadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaen-38-yl]oxy]silane?

The IUPAC name of trimethyl-[[38-[methyl-bis(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3,6,12,15,21,24,30,33-octakis(methylsulfanyl)-9,18,27,36,37,39,40,41-octaza-38-stannadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaen-38-yl]oxy]silane (CID 161229200) is trimethyl-[[38-[methyl-bis(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3,6,12,15,21,24,30,33-octakis(methylsulfanyl)-9,18,27,36,37,39,40,41-octaza-38-stannadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaen-38-yl]oxy]silane.

What is the SMILES notation for trimethyl-[[38-[methyl-bis(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3,6,12,15,21,24,30,33-octakis(methylsulfanyl)-9,18,27,36,37,39,40,41-octaza-38-stannadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaen-38-yl]oxy]silane?

The canonical SMILES for trimethyl-[[38-[methyl-bis(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3,6,12,15,21,24,30,33-octakis(methylsulfanyl)-9,18,27,36,37,39,40,41-octaza-38-stannadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaen-38-yl]oxy]silane is CSc1ccc(SC)c2c1C1=N/C2=N\c2c3c(SC)ccc(SC)c3c3n2[Sn](O[Si](C)(C)C)(O[Si](C)(CCC(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)F)n2/c(c4c(SC)ccc(SC)c4/c2=N/C2=N/C(=N\3)c3c(SC)ccc(SC)c32)=N\1.

What is the InChIKey of trimethyl-[[38-[methyl-bis(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3,6,12,15,21,24,30,33-octakis(methylsulfanyl)-9,18,27,36,37,39,40,41-octaza-38-stannadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaen-38-yl]oxy]silane?

The InChIKey is UYNIHVGTQLPKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N8S8.C9H11F10OSi.C3H9OSi.Sn/c1-49-17-9-10-18(50-2)26-25(17)33-41-34(26)46-36-29-21(53-5)13-14-22(54-6)30(29)38(43-36)48-40-32-24(56-8)16-15-23(55-7)31(32)39(44-40)47-37-28-20(52-4)12-11-19(51-3)27(28)35(42-37)45-33;1-21(20,4-2-6(10,11)8(14,15)16)5-3-7(12,13)9(17,18)19;1-5(2,3)4;/h9-16H,1-8H3;2-5H2,1H3;1-3H3;/q-2;2*-1;+4.

What are the key properties of trimethyl-[[38-[methyl-bis(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3,6,12,15,21,24,30,33-octakis(methylsulfanyl)-9,18,27,36,37,39,40,41-octaza-38-stannadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaen-38-yl]oxy]silane?

trimethyl-[[38-[methyl-bis(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3,6,12,15,21,24,30,33-octakis(methylsulfanyl)-9,18,27,36,37,39,40,41-octaza-38-stannadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaen-38-yl]oxy]silane has a molecular weight of 1442.44 g/mol, XLogP of 16.77, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[[38-[methyl-bis(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3,6,12,15,21,24,30,33-octakis(methylsulfanyl)-9,18,27,36,37,39,40,41-octaza-38-stannadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2,4,6,8,10(41),11,13,15,17,19,21,23,25,27,29,31,33,35(40)-nonadecaen-38-yl]oxy]silane is sourced from PubChem (CID 161229200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).