[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-1H-indene;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium

C121H167N9O23S4 — CID 161170495

IUPAC[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-1H-indene;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium
SMILESC1=C(c2ccccc2)Cc2ccccc21.CC(C)c1cccc(C(C)C)c1N.CCC(C)(C)OC(=O)N1CCC(O)CC1.COCCCN(CCOCCO)CCOCCO.COCCN(CCOC)CCOCCOCCOc1c(CO)cccc1CO.CS(=O)(=O)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCN(C2CCOC2=O)CC1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H16N2.C20H35NO7.C18H15S.C15H12.C12H22N3O8S3.C12H27NO5.C12H19N.C11H21NO3/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-24-9-6-21(7-10-25-2)8-11-26-12-13-27-14-15-28-20-18(16-22)4-3-5-19(20)17-23;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15;1-24(17,18)13-25(19,20)9-2-10-26(21,22)15-6-4-14(5-7-15)11-3-8-23-12(11)16;1-16-8-2-3-13(4-9-17-11-6-14)5-10-18-12-7-15;1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-4-11(2,3)15-10(14)12-7-5-9(13)6-8-12/h1-15H,(H,22,23);3-5,22-23H,6-17H2,1-2H3;1-15H;1-10H,11H2;11H,2-10H2,1H3;14-15H,2-12H2,1H3;5-9H,13H2,1-4H3;9,13H,4-8H2,1-3H3/q;;+1;;-1;;;
InChIKeyURCOWLDBHFMBHS-UHFFFAOYSA-N
MW2243.97 g/mol
LogP17.58
Rot. Bonds51

About [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-1H-indene;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium

[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-1H-indene;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium (PubChem CID 161170495) has the molecular formula C121H167N9O23S4 and a molecular weight of 2243.97 g/mol. Its IUPAC name is [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-1H-indene;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium.

Molecular Properties

Compound Name[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-1H-indene;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium
PubChem CID161170495
Molecular FormulaC121H167N9O23S4
Molecular Weight2243.97 g/mol
Exact Mass2242.11
IUPAC Name[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-1H-indene;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium
SMILESC1=C(c2ccccc2)Cc2ccccc21.CC(C)c1cccc(C(C)C)c1N.CCC(C)(C)OC(=O)N1CCC(O)CC1.COCCCN(CCOCCO)CCOCCO.COCCN(CCOC)CCOCCOCCOc1c(CO)cccc1CO.CS(=O)(=O)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCN(C2CCOC2=O)CC1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H16N2.C20H35NO7.C18H15S.C15H12.C12H22N3O8S3.C12H27NO5.C12H19N.C11H21NO3/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-24-9-6-21(7-10-25-2)8-11-26-12-13-27-14-15-28-20-18(16-22)4-3-5-19(20)17-23;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15;1-24(17,18)13-25(19,20)9-2-10-26(21,22)15-6-4-14(5-7-15)11-3-8-23-12(11)16;1-16-8-2-3-13(4-9-17-11-6-14)5-10-18-12-7-15;1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-4-11(2,3)15-10(14)12-7-5-9(13)6-8-12/h1-15H,(H,22,23);3-5,22-23H,6-17H2,1-2H3;1-15H;1-10H,11H2;11H,2-10H2,1H3;14-15H,2-12H2,1H3;5-9H,13H2,1-4H3;9,13H,4-8H2,1-3H3/q;;+1;;-1;;;
InChIKeyURCOWLDBHFMBHS-UHFFFAOYSA-N
XLogP17.58
TPSA415.01 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds51
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002243.97
LogP ≤ 517.58
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;tetrabutylazanium;[2,3,3,4-tetramethyl-4-(4-methylpiperazin-1-yl)sulfonylpentan-2-yl]sulfonyl-(trifluoromethylsulfonyl)azanide;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide
CID 157484207
2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;3-[2-[2-[2-[2,6-bis(hydroxymethyl)phenoxy]ethoxy]ethoxy]ethyl-(2-methoxyethyl)amino]propan-1-ol;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;N,N-dibutylaniline;N-[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-1,1,1-trifluoromethanesulfonamide;2,6-di(propan-2-yl)aniline;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole
CID 158375233
1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;N,N-dibutylaniline;2,6-di(propan-2-yl)aniline;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-(4-phenylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium)
CID 159430101
[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;tetrabutylazanium;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide
CID 162077507
[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dibutylaniline;1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide;N-octyloctan-1-amine;2-phenyl-3H-indole;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydrate
CID 165014822
[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;9-octylheptadecane;tetrabutylazanium;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;hydroxide
CID 165110020
2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-3H-indole;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium
CID 160663957

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-1H-indene;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium?
The IUPAC name of [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-1H-indene;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium (CID 161170495) is [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-1H-indene;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium.
What is the SMILES notation for [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-1H-indene;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium?
The canonical SMILES for [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-1H-indene;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium is C1=C(c2ccccc2)Cc2ccccc21.CC(C)c1cccc(C(C)C)c1N.CCC(C)(C)OC(=O)N1CCC(O)CC1.COCCCN(CCOCCO)CCOCCO.COCCN(CCOC)CCOCCOCCOc1c(CO)cccc1CO.CS(=O)(=O)[N-]S(=O)(=O)CCCS(=O)(=O)N1CCN(C2CCOC2=O)CC1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-1H-indene;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium?
The InChIKey is URCOWLDBHFMBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2.C20H35NO7.C18H15S.C15H12.C12H22N3O8S3.C12H27NO5.C12H19N.C11H21NO3/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-24-9-6-21(7-10-25-2)8-11-26-12-13-27-14-15-28-20-18(16-22)4-3-5-19(20)17-23;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15;1-24(17,18)13-25(19,20)9-2-10-26(21,22)15-6-4-14(5-7-15)11-3-8-23-12(11)16;1-16-8-2-3-13(4-9-17-11-6-14)5-10-18-12-7-15;1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-4-11(2,3)15-10(14)12-7-5-9(13)6-8-12/h1-15H,(H,22,23);3-5,22-23H,6-17H2,1-2H3;1-15H;1-10H,11H2;11H,2-10H2,1H3;14-15H,2-12H2,1H3;5-9H,13H2,1-4H3;9,13H,4-8H2,1-3H3/q;;+1;;-1;;;.
What are the key properties of [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-1H-indene;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium?
[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-1H-indene;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium has a molecular weight of 2243.97 g/mol, XLogP of 17.58, 51 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;2,6-di(propan-2-yl)aniline;2-[2-[2-(2-hydroxyethoxy)ethyl-(3-methoxypropyl)amino]ethoxy]ethanol;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;2-phenyl-1H-indene;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium is sourced from PubChem (CID 161170495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).