2-carboxyphenolate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium)

C79H79F9N6O13S5 — CID 161149874

About 2-carboxyphenolate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium)

2-carboxyphenolate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium) (PubChem CID 161149874) has the molecular formula C79H79F9N6O13S5 and a molecular weight of 1651.85 g/mol. Its IUPAC name is 2-carboxyphenolate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium).

Molecular Properties

• Compound Name: 2-carboxyphenolate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium)
• PubChem CID: 161149874
• Molecular Formula: C79H79F9N6O13S5
• Molecular Weight: 1651.85 g/mol
• Exact Mass: 1650.42
• IUPAC Name: 2-carboxyphenolate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium)
• SMILES: CCC(C)(C)OC(=O)N1CCCCC1.O=C(O)c1ccccc1[O-].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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C18H15S.C13H10N2.C12H13F9N3O8S3.C11H21NO2.C7H6O3/c2*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)14-10(13)12-8-6-5-7-9-12;8-6-4-2-1-3-5(6)7(9)10/h2*1-15H;1-9H,(H,14,15);7H,1-6H2;4-9H2,1-3H3;1-4,8H,(H,9,10)/q2*+1;;-1;;/p-1
• InChIKey: UONOKMWMLXIGMA-UHFFFAOYSA-M
• XLogP: 16.67
• TPSA: 267.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1651.85
LogP ≤ 5	16.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'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-carboxyphenolate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium)?

The IUPAC name of 2-carboxyphenolate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium) (CID 161149874) is 2-carboxyphenolate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium).

What is the SMILES notation for 2-carboxyphenolate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium)?

The canonical SMILES for 2-carboxyphenolate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium) is CCC(C)(C)OC(=O)N1CCCCC1.O=C(O)c1ccccc1[O-].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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-carboxyphenolate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium)?

The InChIKey is UONOKMWMLXIGMA-UHFFFAOYSA-M. The full InChI is InChI=1S/2C18H15S.C13H10N2.C12H13F9N3O8S3.C11H21NO2.C7H6O3/c2*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)14-10(13)12-8-6-5-7-9-12;8-6-4-2-1-3-5(6)7(9)10/h2*1-15H;1-9H,(H,14,15);7H,1-6H2;4-9H2,1-3H3;1-4,8H,(H,9,10)/q2*+1;;-1;;/p-1.

What are the key properties of 2-carboxyphenolate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium)?

2-carboxyphenolate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium) has a molecular weight of 1651.85 g/mol, XLogP of 16.67, 18 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carboxyphenolate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;bis(triphenylsulfanium) is sourced from PubChem (CID 161149874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).