hexakis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxidoperoxysulfanylbenzene;tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene;1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;2,3,5,6-tetrafluoro-4-(trioxidanylsulfanyl)phenolate

C242H304F32O43S16 — CID 157159084

About hexakis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxidoperoxysulfanylbenzene;tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene;1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;2,3,5,6-tetrafluoro-4-(trioxidanylsulfanyl)phenolate

hexakis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxidoperoxysulfanylbenzene;tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene;1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;2,3,5,6-tetrafluoro-4-(trioxidanylsulfanyl)phenolate (PubChem CID 157159084) has the molecular formula C242H304F32O43S16 and a molecular weight of 5022.06 g/mol. Its IUPAC name is hexakis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxidoperoxysulfanylbenzene;tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene;1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;2,3,5,6-tetrafluoro-4-(trioxidanylsulfanyl)phenolate.

Molecular Properties

• Compound Name: hexakis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxidoperoxysulfanylbenzene;tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene;1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;2,3,5,6-tetrafluoro-4-(trioxidanylsulfanyl)phenolate
• PubChem CID: 157159084
• Molecular Formula: C242H304F32O43S16
• Molecular Weight: 5022.06 g/mol
• Exact Mass: 5017.66
• IUPAC Name: hexakis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxidoperoxysulfanylbenzene;tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene;1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;2,3,5,6-tetrafluoro-4-(trioxidanylsulfanyl)phenolate
• SMILES: CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)[C@H]1CC[C@H](C)C(Oc2c(F)c(F)c(SOO[O-])c(F)c2F)C1.CCCCCCCCCCC(CCCCCCCC)COc1c(F)c(F)c(SOO[O-])c(F)c1F.COCCOCCOCCOc1c(F)c(F)c(SOO[O-])c(F)c1F.COc1c(F)c(F)c(SOO[O-])c(F)c1F.COc1c(F)c(F)c(SOO[O-])c(F)c1F.COc1c(F)c(F)c(SOO[O-])c(F)c1F.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.[O-]OOSc1c(F)c(F)c(OC23CC4CC(CC(C4)C2)C3)c(F)c1F.[O-]c1c(F)c(F)c(SOOO)c(F)c1F
• InChI: InChI=1S/C26H42F4O4S.6C20H29OS.C16H16F4O4S.C16H20F4O4S.C13H16F4O7S.2C12H15OS.3C7H4F4O4S.C6H2F4O4S/c1-3-5-7-9-11-12-14-16-18-20(17-15-13-10-8-6-4-2)19-32-25-21(27)23(29)26(35-34-33-31)24(30)22(25)28;6*1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;17-10-12(19)15(25-24-23-21)13(20)11(18)14(10)22-16-4-7-1-8(5-16)3-9(2-7)6-16;1-7(2)9-5-4-8(3)10(6-9)22-15-11(17)13(19)16(25-24-23-21)14(20)12(15)18;1-19-2-3-20-4-5-21-6-7-22-12-8(14)10(16)13(25-24-23-18)11(17)9(12)15;2*13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;3*1-13-6-2(8)4(10)7(16-15-14-12)5(11)3(6)9;7-1-3(9)6(15-14-13-12)4(10)2(8)5(1)11/h20,31H,3-19H2,1-2H3;6*10-13,16H,3-9,14-15H2,1-2H3;7-9,21H,1-6H2;7-10,21H,4-6H2,1-3H3;18H,2-7H2,1H3;2*1-3,6-7H,4-5,8-10H2;3*12H,1H3;11-12H/q;6*+1;;;;2*+1;;;;/p-8/t;;;;;;;;8-,9-,10?;;;;;;;/m........0......./s1
• InChIKey: AMDUMLRFVNWMBX-AALNCKMLSA-F
• XLogP: 59.82
• TPSA: 581.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 51
• Rotatable Bonds: 91
• Heavy Atoms: 333
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5022.06
LogP ≤ 5	59.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	51

Frequently Asked Questions

What is the IUPAC name of hexakis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxidoperoxysulfanylbenzene;tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene;1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;2,3,5,6-tetrafluoro-4-(trioxidanylsulfanyl)phenolate?

The IUPAC name of hexakis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxidoperoxysulfanylbenzene;tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene;1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;2,3,5,6-tetrafluoro-4-(trioxidanylsulfanyl)phenolate (CID 157159084) is hexakis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxidoperoxysulfanylbenzene;tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene;1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;2,3,5,6-tetrafluoro-4-(trioxidanylsulfanyl)phenolate.

What is the SMILES notation for hexakis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxidoperoxysulfanylbenzene;tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene;1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;2,3,5,6-tetrafluoro-4-(trioxidanylsulfanyl)phenolate?

The canonical SMILES for hexakis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxidoperoxysulfanylbenzene;tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene;1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;2,3,5,6-tetrafluoro-4-(trioxidanylsulfanyl)phenolate is CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)[C@H]1CC[C@H](C)C(Oc2c(F)c(F)c(SOO[O-])c(F)c2F)C1.CCCCCCCCCCC(CCCCCCCC)COc1c(F)c(F)c(SOO[O-])c(F)c1F.COCCOCCOCCOc1c(F)c(F)c(SOO[O-])c(F)c1F.COc1c(F)c(F)c(SOO[O-])c(F)c1F.COc1c(F)c(F)c(SOO[O-])c(F)c1F.COc1c(F)c(F)c(SOO[O-])c(F)c1F.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.[O-]OOSc1c(F)c(F)c(OC23CC4CC(CC(C4)C2)C3)c(F)c1F.[O-]c1c(F)c(F)c(SOOO)c(F)c1F.

What is the InChIKey of hexakis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxidoperoxysulfanylbenzene;tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene;1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;2,3,5,6-tetrafluoro-4-(trioxidanylsulfanyl)phenolate?

The InChIKey is AMDUMLRFVNWMBX-AALNCKMLSA-F. The full InChI is InChI=1S/C26H42F4O4S.6C20H29OS.C16H16F4O4S.C16H20F4O4S.C13H16F4O7S.2C12H15OS.3C7H4F4O4S.C6H2F4O4S/c1-3-5-7-9-11-12-14-16-18-20(17-15-13-10-8-6-4-2)19-32-25-21(27)23(29)26(35-34-33-31)24(30)22(25)28;6*1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;17-10-12(19)15(25-24-23-21)13(20)11(18)14(10)22-16-4-7-1-8(5-16)3-9(2-7)6-16;1-7(2)9-5-4-8(3)10(6-9)22-15-11(17)13(19)16(25-24-23-21)14(20)12(15)18;1-19-2-3-20-4-5-21-6-7-22-12-8(14)10(16)13(25-24-23-18)11(17)9(12)15;2*13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;3*1-13-6-2(8)4(10)7(16-15-14-12)5(11)3(6)9;7-1-3(9)6(15-14-13-12)4(10)2(8)5(1)11/h20,31H,3-19H2,1-2H3;6*10-13,16H,3-9,14-15H2,1-2H3;7-9,21H,1-6H2;7-10,21H,4-6H2,1-3H3;18H,2-7H2,1H3;2*1-3,6-7H,4-5,8-10H2;3*12H,1H3;11-12H/q;6*+1;;;;2*+1;;;;/p-8/t;;;;;;;;8-,9-,10?;;;;;;;/m........0......./s1.

What are the key properties of hexakis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxidoperoxysulfanylbenzene;tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene;1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;2,3,5,6-tetrafluoro-4-(trioxidanylsulfanyl)phenolate?

hexakis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxidoperoxysulfanylbenzene;tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene;1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;2,3,5,6-tetrafluoro-4-(trioxidanylsulfanyl)phenolate has a molecular weight of 5022.06 g/mol, XLogP of 59.82, 91 rotatable bonds, 1 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for hexakis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-oxidoperoxysulfanylbenzene;tris(1,2,4,5-tetrafluoro-3-methoxy-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-[(2S,5S)-2-methyl-5-propan-2-ylcyclohexyl]oxy-6-oxidoperoxysulfanylbenzene;1,2,4,5-tetrafluoro-3-(2-octyldodecoxy)-6-oxidoperoxysulfanylbenzene;1-(2,3,5,6-tetrafluoro-4-oxidoperoxysulfanylphenoxy)adamantane;2,3,5,6-tetrafluoro-4-(trioxidanylsulfanyl)phenolate is sourced from PubChem (CID 157159084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).