[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;tetrakis(4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl propanoate);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium

C152H180O25S4+4 — CID 157452725

IUPAC[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;tetrakis(4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl propanoate);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium
SMILESCCC(=O)OC1C2CC3COC1C3O2.CCC(=O)OC1C2CC3COC1C3O2.CCC(=O)OC1C2CC3COC1C3O2.CCC(=O)OC1C2CC3COC1C3O2.CCC1(OC(=O)COc2c(C)cc([S+](c3ccccc3)c3ccccc3)cc2C)CCCC1.CCC1(OC(=O)COc2c(C)cc([S+](c3ccccc3)c3ccccc3)cc2C)CCCCC1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCC(=O)OCC1(C)C2CC3CC(C2)CC1C3.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H39O3S.C30H35O3S.C29H33O3S.C19H17S.4C10H14O4/c1-23-14-31(38(29-10-6-4-7-11-29)30-12-8-5-9-13-30)15-24(2)33(23)36-21-32(35)37-22-34(3)27-17-25-16-26(19-27)20-28(34)18-25;1-4-30(18-12-7-13-19-30)33-28(31)22-32-29-23(2)20-27(21-24(29)3)34(25-14-8-5-9-15-25)26-16-10-6-11-17-26;1-4-29(17-11-12-18-29)32-27(30)21-31-28-22(2)19-26(20-23(28)3)33(24-13-7-5-8-14-24)25-15-9-6-10-16-25;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;4*1-2-7(11)14-9-6-3-5-4-12-10(9)8(5)13-6/h4-15,25-28H,16-22H2,1-3H3;5-6,8-11,14-17,20-21H,4,7,12-13,18-19,22H2,1-3H3;5-10,13-16,19-20H,4,11-12,17-18,21H2,1-3H3;2-15H,1H3;4*5-6,8-10H,2-4H2,1H3/q4*+1;;;;
InChIKeyBSZHNNQRFFCGKO-UHFFFAOYSA-N
MW2535.35 g/mol
LogP29.33
Rot. Bonds35

About [3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;tetrakis(4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl propanoate);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium

[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;tetrakis(4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl propanoate);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium (PubChem CID 157452725) has the molecular formula C152H180O25S4+4 and a molecular weight of 2535.35 g/mol. Its IUPAC name is [3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;tetrakis(4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl propanoate);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium.

Molecular Properties

Compound Name[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;tetrakis(4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl propanoate);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium
PubChem CID157452725
Molecular FormulaC152H180O25S4+4
Molecular Weight2535.35 g/mol
Exact Mass2533.17
IUPAC Name[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;tetrakis(4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl propanoate);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium
SMILESCCC(=O)OC1C2CC3COC1C3O2.CCC(=O)OC1C2CC3COC1C3O2.CCC(=O)OC1C2CC3COC1C3O2.CCC(=O)OC1C2CC3COC1C3O2.CCC1(OC(=O)COc2c(C)cc([S+](c3ccccc3)c3ccccc3)cc2C)CCCC1.CCC1(OC(=O)COc2c(C)cc([S+](c3ccccc3)c3ccccc3)cc2C)CCCCC1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCC(=O)OCC1(C)C2CC3CC(C2)CC1C3.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H39O3S.C30H35O3S.C29H33O3S.C19H17S.4C10H14O4/c1-23-14-31(38(29-10-6-4-7-11-29)30-12-8-5-9-13-30)15-24(2)33(23)36-21-32(35)37-22-34(3)27-17-25-16-26(19-27)20-28(34)18-25;1-4-30(18-12-7-13-19-30)33-28(31)22-32-29-23(2)20-27(21-24(29)3)34(25-14-8-5-9-15-25)26-16-10-6-11-17-26;1-4-29(17-11-12-18-29)32-27(30)21-31-28-22(2)19-26(20-23(28)3)33(24-13-7-5-8-14-24)25-15-9-6-10-16-25;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;4*1-2-7(11)14-9-6-3-5-4-12-10(9)8(5)13-6/h4-15,25-28H,16-22H2,1-3H3;5-6,8-11,14-17,20-21H,4,7,12-13,18-19,22H2,1-3H3;5-10,13-16,19-20H,4,11-12,17-18,21H2,1-3H3;2-15H,1H3;4*5-6,8-10H,2-4H2,1H3/q4*+1;;;;
InChIKeyBSZHNNQRFFCGKO-UHFFFAOYSA-N
XLogP29.33
TPSA285.63 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds35
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002535.35
LogP ≤ 529.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze [3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;tetrakis(4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl propanoate);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;tetrakis(4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl propanoate);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium?
The IUPAC name of [3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;tetrakis(4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl propanoate);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium (CID 157452725) is [3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;tetrakis(4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl propanoate);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium.
What is the SMILES notation for [3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;tetrakis(4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl propanoate);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium?
The canonical SMILES for [3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;tetrakis(4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl propanoate);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium is CCC(=O)OC1C2CC3COC1C3O2.CCC(=O)OC1C2CC3COC1C3O2.CCC(=O)OC1C2CC3COC1C3O2.CCC(=O)OC1C2CC3COC1C3O2.CCC1(OC(=O)COc2c(C)cc([S+](c3ccccc3)c3ccccc3)cc2C)CCCC1.CCC1(OC(=O)COc2c(C)cc([S+](c3ccccc3)c3ccccc3)cc2C)CCCCC1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCC(=O)OCC1(C)C2CC3CC(C2)CC1C3.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;tetrakis(4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl propanoate);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium?
The InChIKey is BSZHNNQRFFCGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39O3S.C30H35O3S.C29H33O3S.C19H17S.4C10H14O4/c1-23-14-31(38(29-10-6-4-7-11-29)30-12-8-5-9-13-30)15-24(2)33(23)36-21-32(35)37-22-34(3)27-17-25-16-26(19-27)20-28(34)18-25;1-4-30(18-12-7-13-19-30)33-28(31)22-32-29-23(2)20-27(21-24(29)3)34(25-14-8-5-9-15-25)26-16-10-6-11-17-26;1-4-29(17-11-12-18-29)32-27(30)21-31-28-22(2)19-26(20-23(28)3)33(24-13-7-5-8-14-24)25-15-9-6-10-16-25;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;4*1-2-7(11)14-9-6-3-5-4-12-10(9)8(5)13-6/h4-15,25-28H,16-22H2,1-3H3;5-6,8-11,14-17,20-21H,4,7,12-13,18-19,22H2,1-3H3;5-10,13-16,19-20H,4,11-12,17-18,21H2,1-3H3;2-15H,1H3;4*5-6,8-10H,2-4H2,1H3/q4*+1;;;;.
What are the key properties of [3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;tetrakis(4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl propanoate);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium?
[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;tetrakis(4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl propanoate);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium has a molecular weight of 2535.35 g/mol, XLogP of 29.33, 35 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;tetrakis(4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl propanoate);[4-[2-(1-ethylcyclohexyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;[4-[2-(1-ethylcyclopentyl)oxy-2-oxoethoxy]-3,5-dimethylphenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium is sourced from PubChem (CID 157452725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).