2-carboxyphenolate;N,N-dioctyloctan-1-amine;2,2,3,3,4,4,4-heptafluoro-N-methylsulfonylbutanimidate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;tris(triphenylsulfanium)

C127H150F16N8O15S7 — CID 159332997

About 2-carboxyphenolate;N,N-dioctyloctan-1-amine;2,2,3,3,4,4,4-heptafluoro-N-methylsulfonylbutanimidate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;tris(triphenylsulfanium)

2-carboxyphenolate;N,N-dioctyloctan-1-amine;2,2,3,3,4,4,4-heptafluoro-N-methylsulfonylbutanimidate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;tris(triphenylsulfanium) (PubChem CID 159332997) has the molecular formula C127H150F16N8O15S7 and a molecular weight of 2557.07 g/mol. Its IUPAC name is 2-carboxyphenolate;N,N-dioctyloctan-1-amine;2,2,3,3,4,4,4-heptafluoro-N-methylsulfonylbutanimidate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;tris(triphenylsulfanium).

Molecular Properties

• Compound Name: 2-carboxyphenolate;N,N-dioctyloctan-1-amine;2,2,3,3,4,4,4-heptafluoro-N-methylsulfonylbutanimidate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;tris(triphenylsulfanium)
• PubChem CID: 159332997
• Molecular Formula: C127H150F16N8O15S7
• Molecular Weight: 2557.07 g/mol
• Exact Mass: 2554.90
• IUPAC Name: 2-carboxyphenolate;N,N-dioctyloctan-1-amine;2,2,3,3,4,4,4-heptafluoro-N-methylsulfonylbutanimidate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;tris(triphenylsulfanium)
• SMILES: CCC(C)(C)OC(=O)N1CCCCC1.CCCCCCCCN(CCCCCCCC)CCCCCCCC.CS(=O)(=O)N=C([O-])C(F)(F)C(F)(F)C(F)(F)F.O=C(O)c1ccccc1[O-].O=C1CCCC1N1CCN(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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C24H51N.3C18H15S.C13H15F9N3O7S3.C13H10N2.C11H21NO2.C7H6O3.C5H4F7NO3S/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;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-10(15,11(16,17)33(27,28)23-34(29,30)13(20,21)22)12(18,19)35(31,32)25-6-4-24(5-7-25)8-2-1-3-9(8)26;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;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;1-17(15,16)13-2(14)3(6,7)4(8,9)5(10,11)12/h4-24H2,1-3H3;3*1-15H;8H,1-7H2;1-9H,(H,14,15);4-9H2,1-3H3;1-4,8H,(H,9,10);1H3,(H,13,14)/q;3*+1;-1;;;;/p-2
• InChIKey: LFEMDWDBVYLCAX-UHFFFAOYSA-L
• XLogP: 31.17
• TPSA: 331.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 45
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2557.07
LogP ≤ 5	31.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-carboxyphenolate;N,N-dioctyloctan-1-amine;2,2,3,3,4,4,4-heptafluoro-N-methylsulfonylbutanimidate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;tris(triphenylsulfanium)?

The IUPAC name of 2-carboxyphenolate;N,N-dioctyloctan-1-amine;2,2,3,3,4,4,4-heptafluoro-N-methylsulfonylbutanimidate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;tris(triphenylsulfanium) (CID 159332997) is 2-carboxyphenolate;N,N-dioctyloctan-1-amine;2,2,3,3,4,4,4-heptafluoro-N-methylsulfonylbutanimidate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;tris(triphenylsulfanium).

What is the SMILES notation for 2-carboxyphenolate;N,N-dioctyloctan-1-amine;2,2,3,3,4,4,4-heptafluoro-N-methylsulfonylbutanimidate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;tris(triphenylsulfanium)?

The canonical SMILES for 2-carboxyphenolate;N,N-dioctyloctan-1-amine;2,2,3,3,4,4,4-heptafluoro-N-methylsulfonylbutanimidate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;tris(triphenylsulfanium) is CCC(C)(C)OC(=O)N1CCCCC1.CCCCCCCCN(CCCCCCCC)CCCCCCCC.CS(=O)(=O)N=C([O-])C(F)(F)C(F)(F)C(F)(F)F.O=C(O)c1ccccc1[O-].O=C1CCCC1N1CCN(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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-carboxyphenolate;N,N-dioctyloctan-1-amine;2,2,3,3,4,4,4-heptafluoro-N-methylsulfonylbutanimidate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;tris(triphenylsulfanium)?

The InChIKey is LFEMDWDBVYLCAX-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H51N.3C18H15S.C13H15F9N3O7S3.C13H10N2.C11H21NO2.C7H6O3.C5H4F7NO3S/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;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-10(15,11(16,17)33(27,28)23-34(29,30)13(20,21)22)12(18,19)35(31,32)25-6-4-24(5-7-25)8-2-1-3-9(8)26;1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;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;1-17(15,16)13-2(14)3(6,7)4(8,9)5(10,11)12/h4-24H2,1-3H3;3*1-15H;8H,1-7H2;1-9H,(H,14,15);4-9H2,1-3H3;1-4,8H,(H,9,10);1H3,(H,13,14)/q;3*+1;-1;;;;/p-2.

What are the key properties of 2-carboxyphenolate;N,N-dioctyloctan-1-amine;2,2,3,3,4,4,4-heptafluoro-N-methylsulfonylbutanimidate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;tris(triphenylsulfanium)?

2-carboxyphenolate;N,N-dioctyloctan-1-amine;2,2,3,3,4,4,4-heptafluoro-N-methylsulfonylbutanimidate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;tris(triphenylsulfanium) has a molecular weight of 2557.07 g/mol, XLogP of 31.17, 45 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carboxyphenolate;N,N-dioctyloctan-1-amine;2,2,3,3,4,4,4-heptafluoro-N-methylsulfonylbutanimidate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxocyclopentyl)piperazin-1-yl]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methylbutan-2-yl piperidine-1-carboxylate;2-phenyl-1H-benzimidazole;tris(triphenylsulfanium) is sourced from PubChem (CID 159332997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).