[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

C149H240F9N11O21S4 — CID 162077507

About [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

[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 (PubChem CID 162077507) has the molecular formula C149H240F9N11O21S4 and a molecular weight of 2820.86 g/mol. Its IUPAC name is [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.

Molecular Properties

• Compound Name: [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
• PubChem CID: 162077507
• Molecular Formula: C149H240F9N11O21S4
• Molecular Weight: 2820.86 g/mol
• Exact Mass: 2818.68
• IUPAC Name: [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
• SMILES: CC(C)(C)c1cc(C(C)(C)C)c(N)c(C(C)(C)C)c1.CCCCCCCCN(CCCCCCCC)CCCCCCCC.CCCC[N+](CCCC)(CCCC)CCCC.CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.COCCCN(CCOCCO)CCOCCO.COCCN(CCOC)CCOCCOCCOc1c(CO)cccc1CO.Cc1ccc(N(CCO)CCO)cc1.[OH-].c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C24H51N.C21H16N2.C20H35NO7.C18H31N.C18H15S.C16H36N.C12H27NO5.C11H17NO2.C9H11F9N3O6S3.H2O/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-4-10-16(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;1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-16-8-2-3-13(4-9-17-11-6-14)5-10-18-12-7-15;1-10-2-4-11(5-3-10)12(6-8-13)7-9-14;1-20-2-4-21(5-3-20)30(26,27)8(14,15)6(10,11)7(12,13)28(22,23)19-29(24,25)9(16,17)18;/h4-24H2,1-3H3;1-15H,(H,22,23);3-5,22-23H,6-17H2,1-2H3;10-11H,19H2,1-9H3;1-15H;5-16H2,1-4H3;14-15H,2-12H2,1H3;2-5,13-14H,6-9H2,1H3;2-5H2,1H3;1H2/q;;;;2*+1;;;-1;/p-1
• InChIKey: ZYOHMPYIADDPOQ-UHFFFAOYSA-M
• XLogP: 30.30
• TPSA: 415.88 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 83
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2820.86
LogP ≤ 5	30.30
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'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'}

Frequently Asked Questions

What is the IUPAC name of [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?

The IUPAC name of [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) is [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.

What is the SMILES notation for [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?

The canonical SMILES for [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 is CC(C)(C)c1cc(C(C)(C)C)c(N)c(C(C)(C)C)c1.CCCCCCCCN(CCCCCCCC)CCCCCCCC.CCCC[N+](CCCC)(CCCC)CCCC.CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.COCCCN(CCOCCO)CCOCCO.COCCN(CCOC)CCOCCOCCOc1c(CO)cccc1CO.Cc1ccc(N(CCO)CCO)cc1.[OH-].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;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?

The InChIKey is ZYOHMPYIADDPOQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H51N.C21H16N2.C20H35NO7.C18H31N.C18H15S.C16H36N.C12H27NO5.C11H17NO2.C9H11F9N3O6S3.H2O/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-4-10-16(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;1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-16-8-2-3-13(4-9-17-11-6-14)5-10-18-12-7-15;1-10-2-4-11(5-3-10)12(6-8-13)7-9-14;1-20-2-4-21(5-3-20)30(26,27)8(14,15)6(10,11)7(12,13)28(22,23)19-29(24,25)9(16,17)18;/h4-24H2,1-3H3;1-15H,(H,22,23);3-5,22-23H,6-17H2,1-2H3;10-11H,19H2,1-9H3;1-15H;5-16H2,1-4H3;14-15H,2-12H2,1H3;2-5,13-14H,6-9H2,1H3;2-5H2,1H3;1H2/q;;;;2*+1;;;-1;/p-1.

What are the key properties of [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?

[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 has a molecular weight of 2820.86 g/mol, XLogP of 30.30, 83 rotatable bonds, 8 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;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 is sourced from PubChem (CID 162077507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).