2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;N,N-dibutylaniline;2-ethyl-6-propan-2-ylaniline;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium)

C118H158F12N12O23S8 — CID 158336489

About 2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;N,N-dibutylaniline;2-ethyl-6-propan-2-ylaniline;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium)

2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;N,N-dibutylaniline;2-ethyl-6-propan-2-ylaniline;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium) (PubChem CID 158336489) has the molecular formula C118H158F12N12O23S8 and a molecular weight of 2597.13 g/mol. Its IUPAC name is 2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;N,N-dibutylaniline;2-ethyl-6-propan-2-ylaniline;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium).

Molecular Properties

• Compound Name: 2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;N,N-dibutylaniline;2-ethyl-6-propan-2-ylaniline;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium)
• PubChem CID: 158336489
• Molecular Formula: C118H158F12N12O23S8
• Molecular Weight: 2597.13 g/mol
• Exact Mass: 2594.91
• IUPAC Name: 2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;N,N-dibutylaniline;2-ethyl-6-propan-2-ylaniline;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium)
• SMILES: CCC(C)(C)OC(=O)N1CCC(O)CC1.CCCCN(CCCC)c1ccccc1.CCc1cccc(C(C)C)c1N.CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(C)(=O)=O)CC1.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCN(C2CCOC2=O)CC1.OCCOCCN(CCOCCO)CCOCCO.c1ccc(-c2nc3ccccc3[nH]2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C18H15S.C14H23N.C13H10N2.C12H16F6N3O8S3.C12H27NO6.C11H21NO3.C11H17N.C9H14F6N3O6S3/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-30(23,24)19-31(25,26)11(15,16)10(13,14)12(17,18)32(27,28)21-5-3-20(4-6-21)8-2-7-29-9(8)22;14-4-10-17-7-1-13(2-8-18-11-5-15)3-9-19-12-6-16;1-4-11(2,3)15-10(14)12-7-5-9(13)6-8-12;1-4-9-6-5-7-10(8(2)3)11(9)12;1-17-3-5-18(6-4-17)27(23,24)9(14,15)7(10,11)8(12,13)26(21,22)16-25(2,19)20/h2*1-15H;7-11H,3-6,12-13H2,1-2H3;1-9H,(H,14,15);8H,2-7H2,1H3;14-16H,1-12H2;9,13H,4-8H2,1-3H3;5-8H,4,12H2,1-3H3;3-6H2,1-2H3/q2*+1;;;-1;;;;-1
• InChIKey: GQQKOSKZXRMFJM-UHFFFAOYSA-N
• XLogP: 19.71
• TPSA: 471.63 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 48
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2597.13
LogP ≤ 5	19.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'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': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;N,N-dibutylaniline;2-ethyl-6-propan-2-ylaniline;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium)?

The IUPAC name of 2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;N,N-dibutylaniline;2-ethyl-6-propan-2-ylaniline;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium) (CID 158336489) is 2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;N,N-dibutylaniline;2-ethyl-6-propan-2-ylaniline;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium).

What is the SMILES notation for 2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;N,N-dibutylaniline;2-ethyl-6-propan-2-ylaniline;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium)?

The canonical SMILES for 2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;N,N-dibutylaniline;2-ethyl-6-propan-2-ylaniline;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium) is CCC(C)(C)OC(=O)N1CCC(O)CC1.CCCCN(CCCC)c1ccccc1.CCc1cccc(C(C)C)c1N.CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(C)(=O)=O)CC1.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCN(C2CCOC2=O)CC1.OCCOCCN(CCOCCO)CCOCCO.c1ccc(-c2nc3ccccc3[nH]2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;N,N-dibutylaniline;2-ethyl-6-propan-2-ylaniline;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium)?

The InChIKey is GQQKOSKZXRMFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15S.C14H23N.C13H10N2.C12H16F6N3O8S3.C12H27NO6.C11H21NO3.C11H17N.C9H14F6N3O6S3/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-30(23,24)19-31(25,26)11(15,16)10(13,14)12(17,18)32(27,28)21-5-3-20(4-6-21)8-2-7-29-9(8)22;14-4-10-17-7-1-13(2-8-18-11-5-15)3-9-19-12-6-16;1-4-11(2,3)15-10(14)12-7-5-9(13)6-8-12;1-4-9-6-5-7-10(8(2)3)11(9)12;1-17-3-5-18(6-4-17)27(23,24)9(14,15)7(10,11)8(12,13)26(21,22)16-25(2,19)20/h2*1-15H;7-11H,3-6,12-13H2,1-2H3;1-9H,(H,14,15);8H,2-7H2,1H3;14-16H,1-12H2;9,13H,4-8H2,1-3H3;5-8H,4,12H2,1-3H3;3-6H2,1-2H3/q2*+1;;;-1;;;;-1.

What are the key properties of 2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;N,N-dibutylaniline;2-ethyl-6-propan-2-ylaniline;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium)?

2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;N,N-dibutylaniline;2-ethyl-6-propan-2-ylaniline;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium) has a molecular weight of 2597.13 g/mol, XLogP of 19.71, 48 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;N,N-dibutylaniline;2-ethyl-6-propan-2-ylaniline;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium) is sourced from PubChem (CID 158336489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).