[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)-2-methylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium

C143H154F7O10S5+5 — CID 158855337

IUPAC[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)-2-methylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium
SMILESCc1cc(OCOC2C3CC4CC(C3)CC2C4)ccc1[S+](c1ccccc1)c1ccccc1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCC(=O)OC(C)(C)C.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCCCC(F)(F)CC(F)(F)C(F)(F)F.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCOC1C2CC3CC(C2)CC1C3.c1ccc([S+](c2ccccc2)c2ccc(OCOC3C4CC5CC(C4)CC3C5)cc2)cc1
InChIInChI=1S/C31H35O2S.C30H33O2S.C29H31O2S.C27H26F7OS.C26H29O3S/c1-21-13-29(34(27-9-5-3-6-10-27)28-11-7-4-8-12-28)14-22(2)30(21)32-20-33-31-25-16-23-15-24(18-25)19-26(31)17-23;1-21-14-26(31-20-32-30-24-16-22-15-23(18-24)19-25(30)17-22)12-13-29(21)33(27-8-4-2-5-9-27)28-10-6-3-7-11-28;1-3-7-26(8-4-1)32(27-9-5-2-6-10-27)28-13-11-25(12-14-28)30-20-31-29-23-16-21-15-22(18-23)19-24(29)17-21;1-19-16-23(36(21-10-5-3-6-11-21)22-12-7-4-8-13-22)17-20(2)24(19)35-15-9-14-25(28,29)18-26(30,31)27(32,33)34;1-19-16-23(17-20(2)25(19)28-18-24(27)29-26(3,4)5)30(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h3-14,23-26,31H,15-20H2,1-2H3;2-14,22-25,30H,15-20H2,1H3;1-14,21-24,29H,15-20H2;3-8,10-13,16-17H,9,14-15,18H2,1-2H3;6-17H,18H2,1-5H3/q5*+1
InChIKeyIZYZSKRKMJEOSX-UHFFFAOYSA-N
MW2326.12 g/mol
LogP36.70
Rot. Bonds37

About [4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)-2-methylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium

[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)-2-methylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium (PubChem CID 158855337) has the molecular formula C143H154F7O10S5+5 and a molecular weight of 2326.12 g/mol. Its IUPAC name is [4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)-2-methylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium.

Molecular Properties

Compound Name[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)-2-methylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium
PubChem CID158855337
Molecular FormulaC143H154F7O10S5+5
Molecular Weight2326.12 g/mol
Exact Mass2324.00
IUPAC Name[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)-2-methylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium
SMILESCc1cc(OCOC2C3CC4CC(C3)CC2C4)ccc1[S+](c1ccccc1)c1ccccc1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCC(=O)OC(C)(C)C.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCCCC(F)(F)CC(F)(F)C(F)(F)F.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCOC1C2CC3CC(C2)CC1C3.c1ccc([S+](c2ccccc2)c2ccc(OCOC3C4CC5CC(C4)CC3C5)cc2)cc1
InChIInChI=1S/C31H35O2S.C30H33O2S.C29H31O2S.C27H26F7OS.C26H29O3S/c1-21-13-29(34(27-9-5-3-6-10-27)28-11-7-4-8-12-28)14-22(2)30(21)32-20-33-31-25-16-23-15-24(18-25)19-26(31)17-23;1-21-14-26(31-20-32-30-24-16-22-15-23(18-24)19-25(30)17-22)12-13-29(21)33(27-8-4-2-5-9-27)28-10-6-3-7-11-28;1-3-7-26(8-4-1)32(27-9-5-2-6-10-27)28-13-11-25(12-14-28)30-20-31-29-23-16-21-15-22(18-23)19-24(29)17-21;1-19-16-23(36(21-10-5-3-6-11-21)22-12-7-4-8-13-22)17-20(2)24(19)35-15-9-14-25(28,29)18-26(30,31)27(32,33)34;1-19-16-23(17-20(2)25(19)28-18-24(27)29-26(3,4)5)30(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h3-14,23-26,31H,15-20H2,1-2H3;2-14,22-25,30H,15-20H2,1H3;1-14,21-24,29H,15-20H2;3-8,10-13,16-17H,9,14-15,18H2,1-2H3;6-17H,18H2,1-5H3/q5*+1
InChIKeyIZYZSKRKMJEOSX-UHFFFAOYSA-N
XLogP36.70
TPSA100.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds37
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002326.12
LogP ≤ 536.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze [4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)-2-methylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium with MolForge

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Related Compounds

Methyl 2-[4-[3-[4-[4-[3-[4-(2-methoxy-2-oxoethoxy)-3-methylphenyl]sulfanylpropyl]-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)phenyl]propylsulfanyl]-2-methylphenoxy]acetate
CID 10327967
2-[4-[2-Ethoxy-3,3-bis[4-[3-(trifluoromethoxy)phenyl]phenyl]prop-2-enyl]sulfanyl-2-methylphenoxy]acetic acid
CID 10440080
[4-(3-{4'-[3-(4-Methoxycarbonylmethoxy-3-methyl-phenylsulfanyl)-propyl]-2,2'-bis-trifluoromethyl-biphenyl-4-yl)-propylsulfanyl)-2-methyl-phenoxy]-acetic acid methyl ester
CID 10463020
2-[4-[3-[4-[4-[3-[4-(Carboxymethoxy)-3-(trifluoromethyl)phenyl]sulfanylpropyl]-2-(trifluoromethyl)phenyl]sulfanyl-3-(trifluoromethyl)phenyl]propylsulfanyl]-2-(trifluoromethyl)phenoxy]acetic acid
CID 11766273
2-[4-[2-[Bis[4-[3-(trifluoromethoxy)phenyl]phenyl]methylidene]butylsulfanyl]-2-methylphenoxy]acetic acid
CID 21986628
2-[4-[3,3-Bis[4-[3-(trifluoromethoxy)phenyl]phenyl]prop-2-enylsulfanyl]-2-methylphenoxy]acetic acid
CID 21986789
2-[4-[2-Ethoxy-3,3-bis[4-[3-(trifluoromethyl)phenyl]phenyl]prop-2-enyl]sulfanyl-2-methylphenoxy]acetic acid
CID 21986901
Ethyl 2-[4-[3-[4-[4-[3-[4-(2-ethoxy-2-oxoethoxy)-3-(trifluoromethyl)phenyl]sulfanylpropyl]phenyl]phenyl]propylsulfanyl]-2-(trifluoromethyl)phenoxy]acetate
CID 87538728
2,2-Bis[4-[3-[4-[4-[3-[4-(carboxymethoxy)-3-methylphenyl]sulfanylpropyl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]propylsulfanyl]-2-methylphenoxy]acetic acid
CID 87969458
2-[4-[[Dihydroxy(oxo)-lambda6-sulfanylidene]-diphenyl-(trifluoromethyl)-lambda6-sulfanyl]phenoxy]ethyl 2-[4-[3-(4-hydroxyphenyl)-5-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]phenyl]phenoxy]acetate
CID 89530285
[2-[2-Methyl-4-[[2-methyl-5-[4-(trifluoromethyl)phenyl]phenyl]methylsulfanyl]phenoxy]acetyl] 2-[2-methyl-4-[[3-[4-(trifluoromethyl)phenyl]phenyl]methylsulfanyl]phenoxy]acetate
CID 90781165
[2-[2-methyl-4-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]pentyl]sulfanylphenoxy]acetyl] 2-[2-methyl-4-[1-[4-[4-(trifluoromethyl)phenyl]phenyl]pentylsulfanyl]phenoxy]acetate
CID 91370152

Frequently Asked Questions

What is the IUPAC name of [4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)-2-methylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium?
The IUPAC name of [4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)-2-methylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium (CID 158855337) is [4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)-2-methylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium.
What is the SMILES notation for [4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)-2-methylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium?
The canonical SMILES for [4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)-2-methylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium is Cc1cc(OCOC2C3CC4CC(C3)CC2C4)ccc1[S+](c1ccccc1)c1ccccc1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCC(=O)OC(C)(C)C.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCCCC(F)(F)CC(F)(F)C(F)(F)F.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCOC1C2CC3CC(C2)CC1C3.c1ccc([S+](c2ccccc2)c2ccc(OCOC3C4CC5CC(C4)CC3C5)cc2)cc1.
What is the InChIKey of [4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)-2-methylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium?
The InChIKey is IZYZSKRKMJEOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35O2S.C30H33O2S.C29H31O2S.C27H26F7OS.C26H29O3S/c1-21-13-29(34(27-9-5-3-6-10-27)28-11-7-4-8-12-28)14-22(2)30(21)32-20-33-31-25-16-23-15-24(18-25)19-26(31)17-23;1-21-14-26(31-20-32-30-24-16-22-15-23(18-24)19-25(30)17-22)12-13-29(21)33(27-8-4-2-5-9-27)28-10-6-3-7-11-28;1-3-7-26(8-4-1)32(27-9-5-2-6-10-27)28-13-11-25(12-14-28)30-20-31-29-23-16-21-15-22(18-23)19-24(29)17-21;1-19-16-23(36(21-10-5-3-6-11-21)22-12-7-4-8-13-22)17-20(2)24(19)35-15-9-14-25(28,29)18-26(30,31)27(32,33)34;1-19-16-23(17-20(2)25(19)28-18-24(27)29-26(3,4)5)30(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h3-14,23-26,31H,15-20H2,1-2H3;2-14,22-25,30H,15-20H2,1H3;1-14,21-24,29H,15-20H2;3-8,10-13,16-17H,9,14-15,18H2,1-2H3;6-17H,18H2,1-5H3/q5*+1.
What are the key properties of [4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)-2-methylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium?
[4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)-2-methylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium has a molecular weight of 2326.12 g/mol, XLogP of 36.70, 37 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-adamantyloxymethoxy)-3,5-dimethylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)-2-methylphenyl]-diphenylsulfanium;[4-(2-adamantyloxymethoxy)phenyl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium is sourced from PubChem (CID 158855337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).