N,N-dioctyloctan-1-amine;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium

C78H110F9N7O11S4 — CID 160669530

IUPACN,N-dioctyloctan-1-amine;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium
SMILESCCC(C)(C)OC(=O)N1CCC(O)CC1.CCCCCCCCN(CCCCCCCC)CCCCCCCC.O=C1OCCC1N1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.c1ccc(-c2nc3ccccc3[nH]2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H51N.C18H15S.C13H10N2.C12H13F9N3O8S3.C11H21NO3/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(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;13-9(14,10(15,16)33(26,27)22-34(28,29)12(19,20)21)11(17,18)35(30,31)24-4-2-23(3-5-24)7-1-6-32-8(7)25;1-4-11(2,3)15-10(14)12-7-5-9(13)6-8-12/h4-24H2,1-3H3;1-15H;1-9H,(H,14,15);7H,1-6H2;9,13H,4-8H2,1-3H3/q;+1;;-1;
InChIKeyRMTBARWLFBSFHW-UHFFFAOYSA-N
MW1621.03 g/mol
LogP18.77
Rot. Bonds35

About N,N-dioctyloctan-1-amine;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium

N,N-dioctyloctan-1-amine;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium (PubChem CID 160669530) has the molecular formula C78H110F9N7O11S4 and a molecular weight of 1621.03 g/mol. Its IUPAC name is N,N-dioctyloctan-1-amine;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium.

Molecular Properties

Compound NameN,N-dioctyloctan-1-amine;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium
PubChem CID160669530
Molecular FormulaC78H110F9N7O11S4
Molecular Weight1621.03 g/mol
Exact Mass1619.70
IUPAC NameN,N-dioctyloctan-1-amine;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium
SMILESCCC(C)(C)OC(=O)N1CCC(O)CC1.CCCCCCCCN(CCCCCCCC)CCCCCCCC.O=C1OCCC1N1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.c1ccc(-c2nc3ccccc3[nH]2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H51N.C18H15S.C13H10N2.C12H13F9N3O8S3.C11H21NO3/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(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;13-9(14,10(15,16)33(26,27)22-34(28,29)12(19,20)21)11(17,18)35(30,31)24-4-2-23(3-5-24)7-1-6-32-8(7)25;1-4-11(2,3)15-10(14)12-7-5-9(13)6-8-12/h4-24H2,1-3H3;1-15H;1-9H,(H,14,15);7H,1-6H2;9,13H,4-8H2,1-3H3/q;+1;;-1;
InChIKeyRMTBARWLFBSFHW-UHFFFAOYSA-N
XLogP18.77
TPSA230.99 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds35
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001621.03
LogP ≤ 518.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N,N-dioctyloctan-1-amine;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium with MolForge

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Related Compounds

N,N-dioctyloctan-1-amine;1,1,2,2,3,3-hexafluoro-N-methylsulfonyl-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropane-1-sulfonamide;methane;2-phenyl-1H-benzimidazole;tetrabutylazanium;2,4,5-triphenyl-4,5-dihydro-1H-imidazole;triphenylsulfanium;benzoate
CID 157563485
benzhydrylbenzene;2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;2,6-di(propan-2-yl)aniline;2,2,3,3,4,4,4-heptafluoro-N-(trifluoromethylsulfonyl)butanimidate;[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;triphenylsulfanium
CID 158202841
2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;N,N-dibutylaniline;difluoro-(4-methylpiperazin-1-yl)sulfonylmethanesulfonate;2,6-di(propan-2-yl)aniline;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium
CID 158319684
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
2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;N,N-dibutylaniline;2,6-di(propan-2-yl)aniline;[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-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)piperidine-1-carboxylate;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-morpholin-4-ylethyl dodecanoate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium)
CID 158744401
2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;tert-butyl 4-(cyclohexanecarbonyloxy)piperidine-1-carboxylate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;(4-methylphenyl)-diphenylsulfanium;2-phenyl-1H-benzimidazole;triphenylsulfanium;benzoate
CID 158909817
1-(benzenesulfonyl)-2-phenylbenzimidazole;tert-butyl 2-methylbenzimidazole-1-carboxylate;[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-methyl-1H-benzimidazole;2-methylbutan-2-yl benzimidazole-1-carboxylate;triphenylsulfanium
CID 159163843
N,N-dibutylaniline;2,6-di(propan-2-yl)aniline;[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-phenyl-1H-benzimidazole;bis(triphenylsulfanium)
CID 159173557
[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;tetrabutylazanium;triphenylsulfanium;hydroxide
CID 159240840
2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;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;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium
CID 159543821
2-carboxyphenolate;[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;tetrabutylazanium;bis(triphenylsulfanium);hydroxide
CID 159980137
2-[2-[bis[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol;tert-butyl 2-phenylbenzimidazole-1-carboxylate;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;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;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium)
CID 160066555

Frequently Asked Questions

What is the IUPAC name of N,N-dioctyloctan-1-amine;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium?
The IUPAC name of N,N-dioctyloctan-1-amine;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium (CID 160669530) is N,N-dioctyloctan-1-amine;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium.
What is the SMILES notation for N,N-dioctyloctan-1-amine;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium?
The canonical SMILES for N,N-dioctyloctan-1-amine;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium is CCC(C)(C)OC(=O)N1CCC(O)CC1.CCCCCCCCN(CCCCCCCC)CCCCCCCC.O=C1OCCC1N1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.c1ccc(-c2nc3ccccc3[nH]2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-dioctyloctan-1-amine;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium?
The InChIKey is RMTBARWLFBSFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N.C18H15S.C13H10N2.C12H13F9N3O8S3.C11H21NO3/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(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;13-9(14,10(15,16)33(26,27)22-34(28,29)12(19,20)21)11(17,18)35(30,31)24-4-2-23(3-5-24)7-1-6-32-8(7)25;1-4-11(2,3)15-10(14)12-7-5-9(13)6-8-12/h4-24H2,1-3H3;1-15H;1-9H,(H,14,15);7H,1-6H2;9,13H,4-8H2,1-3H3/q;+1;;-1;.
What are the key properties of N,N-dioctyloctan-1-amine;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium?
N,N-dioctyloctan-1-amine;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium has a molecular weight of 1621.03 g/mol, XLogP of 18.77, 35 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dioctyloctan-1-amine;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl 4-hydroxypiperidine-1-carboxylate;2-phenyl-1H-benzimidazole;triphenylsulfanium is sourced from PubChem (CID 160669530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).