bis(1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene);1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;tetrakis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-butan-2-yl-4-[1-[2-(2-phenylphenoxy)ethoxy]propoxy]benzene;triphenylsulfanium

C157H212F6O19S3 — CID 158006949

IUPACbis(1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene);1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;tetrakis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-butan-2-yl-4-[1-[2-(2-phenylphenoxy)ethoxy]propoxy]benzene;triphenylsulfanium
SMILESCCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(CC(C)(C)C)OC2CCCCC2)cc1.CCC(C)c1ccc(OC(CC(C)(C)C)OC2CCCCC2)cc1.CCC(C)c1ccc(OC(OC)C(C)C)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC(OCCOc1ccccc1-c1ccccc1)Oc1ccc(C(C)CC)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H32O3.2C22H36O2.C18H15S.C15H24O2.C13H14F6O6S2.4C10H14O/c1-4-21(3)22-15-17-24(18-16-22)30-27(5-2)29-20-19-28-26-14-10-9-13-25(26)23-11-7-6-8-12-23;2*1-6-17(2)18-12-14-20(15-13-18)24-21(16-22(3,4)5)23-19-10-8-7-9-11-19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-12(4)13-7-9-14(10-8-13)17-15(16-5)11(2)3;1-3-8(2)9-4-6-10(7-5-9)25-27(23,24)13(18,19)11(14,15)12(16,17)26(20,21)22;4*1-3-8(2)9-4-6-10(11)7-5-9/h6-18,21,27H,4-5,19-20H2,1-3H3;2*12-15,17,19,21H,6-11,16H2,1-5H3;1-15H;7-12,15H,6H2,1-5H3;4-8H,3H2,1-2H3,(H,20,21,22);4*4-8,11H,3H2,1-2H3/q;;;+1;;;;;;/p-1
InChIKeyFEKFKKNHOKEYMO-UHFFFAOYSA-M
MW2613.59 g/mol
LogP44.35
Rot. Bonds50

About bis(1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene);1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;tetrakis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-butan-2-yl-4-[1-[2-(2-phenylphenoxy)ethoxy]propoxy]benzene;triphenylsulfanium

bis(1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene);1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;tetrakis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-butan-2-yl-4-[1-[2-(2-phenylphenoxy)ethoxy]propoxy]benzene;triphenylsulfanium (PubChem CID 158006949) has the molecular formula C157H212F6O19S3 and a molecular weight of 2613.59 g/mol. Its IUPAC name is bis(1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene);1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;tetrakis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-butan-2-yl-4-[1-[2-(2-phenylphenoxy)ethoxy]propoxy]benzene;triphenylsulfanium.

Molecular Properties

Compound Namebis(1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene);1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;tetrakis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-butan-2-yl-4-[1-[2-(2-phenylphenoxy)ethoxy]propoxy]benzene;triphenylsulfanium
PubChem CID158006949
Molecular FormulaC157H212F6O19S3
Molecular Weight2613.59 g/mol
Exact Mass2611.47
IUPAC Namebis(1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene);1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;tetrakis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-butan-2-yl-4-[1-[2-(2-phenylphenoxy)ethoxy]propoxy]benzene;triphenylsulfanium
SMILESCCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(CC(C)(C)C)OC2CCCCC2)cc1.CCC(C)c1ccc(OC(CC(C)(C)C)OC2CCCCC2)cc1.CCC(C)c1ccc(OC(OC)C(C)C)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC(OCCOc1ccccc1-c1ccccc1)Oc1ccc(C(C)CC)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H32O3.2C22H36O2.C18H15S.C15H24O2.C13H14F6O6S2.4C10H14O/c1-4-21(3)22-15-17-24(18-16-22)30-27(5-2)29-20-19-28-26-14-10-9-13-25(26)23-11-7-6-8-12-23;2*1-6-17(2)18-12-14-20(15-13-18)24-21(16-22(3,4)5)23-19-10-8-7-9-11-19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-12(4)13-7-9-14(10-8-13)17-15(16-5)11(2)3;1-3-8(2)9-4-6-10(7-5-9)25-27(23,24)13(18,19)11(14,15)12(16,17)26(20,21)22;4*1-3-8(2)9-4-6-10(11)7-5-9/h6-18,21,27H,4-5,19-20H2,1-3H3;2*12-15,17,19,21H,6-11,16H2,1-5H3;1-15H;7-12,15H,6H2,1-5H3;4-8H,3H2,1-2H3,(H,20,21,22);4*4-8,11H,3H2,1-2H3/q;;;+1;;;;;;/p-1
InChIKeyFEKFKKNHOKEYMO-UHFFFAOYSA-M
XLogP44.35
TPSA264.56 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds50
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002613.59
LogP ≤ 544.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze bis(1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene);1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;tetrakis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-butan-2-yl-4-[1-[2-(2-phenylphenoxy)ethoxy]propoxy]benzene;triphenylsulfanium with MolForge

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Related Compounds

4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenol
CID 20651921
1-[4-[4-[4-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 57616659
1-Methyl-4-[4-[4-[4-[4-[4-[4-[1,1,3,3-tetrafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzene
CID 57616677
4-[2-[4-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-phenylphenyl]propan-2-yl]-1-methoxy-2-phenylbenzene
CID 58291356
4-[4-[4-[4-[2,3,5,6-Tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)phenoxy]phenyl]phenoxy]phenyl]sulfonylphenol
CID 58835464
1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-[(Z)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 59533676
1-[4-[1-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-(2-methylbutan-2-yl)phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]propyl]phenyl]sulfonyl-4-methylbenzene
CID 87431275
4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenol
CID 88916269
1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-[4-[4-[(Z)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2-diphenylethenyl]phenoxy]phenyl]sulfonylphenyl]pentan-3-yloxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 89023071
1-[4-[1-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-(2-methylbutan-2-yl)phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]ethyl]phenyl]sulfonyl-4-methylbenzene
CID 89047483
4-[1,1,1,3,3,3-Hexafluoro-2-[4-[2-[4-[4-(2-methylbutan-2-yl)phenyl]sulfonylphenyl]propan-2-yloxy]phenyl]propan-2-yl]phenol
CID 89053069
4-[1,1,1,3,3,3-Hexafluoro-2-[4-[2-[4-(4-propan-2-ylphenyl)sulfonylphenyl]propan-2-yloxy]phenyl]propan-2-yl]phenol
CID 89053071

Frequently Asked Questions

What is the IUPAC name of bis(1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene);1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;tetrakis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-butan-2-yl-4-[1-[2-(2-phenylphenoxy)ethoxy]propoxy]benzene;triphenylsulfanium?
The IUPAC name of bis(1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene);1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;tetrakis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-butan-2-yl-4-[1-[2-(2-phenylphenoxy)ethoxy]propoxy]benzene;triphenylsulfanium (CID 158006949) is bis(1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene);1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;tetrakis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-butan-2-yl-4-[1-[2-(2-phenylphenoxy)ethoxy]propoxy]benzene;triphenylsulfanium.
What is the SMILES notation for bis(1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene);1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;tetrakis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-butan-2-yl-4-[1-[2-(2-phenylphenoxy)ethoxy]propoxy]benzene;triphenylsulfanium?
The canonical SMILES for bis(1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene);1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;tetrakis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-butan-2-yl-4-[1-[2-(2-phenylphenoxy)ethoxy]propoxy]benzene;triphenylsulfanium is CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(CC(C)(C)C)OC2CCCCC2)cc1.CCC(C)c1ccc(OC(CC(C)(C)C)OC2CCCCC2)cc1.CCC(C)c1ccc(OC(OC)C(C)C)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC(OCCOc1ccccc1-c1ccccc1)Oc1ccc(C(C)CC)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene);1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;tetrakis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-butan-2-yl-4-[1-[2-(2-phenylphenoxy)ethoxy]propoxy]benzene;triphenylsulfanium?
The InChIKey is FEKFKKNHOKEYMO-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H32O3.2C22H36O2.C18H15S.C15H24O2.C13H14F6O6S2.4C10H14O/c1-4-21(3)22-15-17-24(18-16-22)30-27(5-2)29-20-19-28-26-14-10-9-13-25(26)23-11-7-6-8-12-23;2*1-6-17(2)18-12-14-20(15-13-18)24-21(16-22(3,4)5)23-19-10-8-7-9-11-19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-12(4)13-7-9-14(10-8-13)17-15(16-5)11(2)3;1-3-8(2)9-4-6-10(7-5-9)25-27(23,24)13(18,19)11(14,15)12(16,17)26(20,21)22;4*1-3-8(2)9-4-6-10(11)7-5-9/h6-18,21,27H,4-5,19-20H2,1-3H3;2*12-15,17,19,21H,6-11,16H2,1-5H3;1-15H;7-12,15H,6H2,1-5H3;4-8H,3H2,1-2H3,(H,20,21,22);4*4-8,11H,3H2,1-2H3/q;;;+1;;;;;;/p-1.
What are the key properties of bis(1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene);1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;tetrakis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-butan-2-yl-4-[1-[2-(2-phenylphenoxy)ethoxy]propoxy]benzene;triphenylsulfanium?
bis(1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene);1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;tetrakis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-butan-2-yl-4-[1-[2-(2-phenylphenoxy)ethoxy]propoxy]benzene;triphenylsulfanium has a molecular weight of 2613.59 g/mol, XLogP of 44.35, 50 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-butan-2-yl-4-(1-cyclohexyloxy-3,3-dimethylbutoxy)benzene);1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;tetrakis(4-butan-2-ylphenol);3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-butan-2-yl-4-[1-[2-(2-phenylphenoxy)ethoxy]propoxy]benzene;triphenylsulfanium is sourced from PubChem (CID 158006949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).