tris(4-butan-2-ylphenol);9-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-methoxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-9H-xanthene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium

C148H162F6O18S3 — CID 158537517

About tris(4-butan-2-ylphenol);9-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-methoxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-9H-xanthene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium

tris(4-butan-2-ylphenol);9-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-methoxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-9H-xanthene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium (PubChem CID 158537517) has the molecular formula C148H162F6O18S3 and a molecular weight of 2439.09 g/mol. Its IUPAC name is tris(4-butan-2-ylphenol);9-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-methoxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-9H-xanthene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium.

Molecular Properties

• Compound Name: tris(4-butan-2-ylphenol);9-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-methoxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-9H-xanthene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium
• PubChem CID: 158537517
• Molecular Formula: C148H162F6O18S3
• Molecular Weight: 2439.09 g/mol
• Exact Mass: 2437.08
• IUPAC Name: tris(4-butan-2-ylphenol);9-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-methoxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-9H-xanthene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium
• SMILES: CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(OC)C2c3ccccc3Oc3ccccc32)cc1.CCC(C)c1ccc(OC(OC2CCCCC2)C2c3ccccc3Oc3ccccc32)cc1.CCC(C)c1ccc(OC(OCCc2ccccc2)C2c3ccccc3Oc3ccccc32)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C32H32O3.C30H34O3.C25H26O3.C18H15S.C13H14F6O6S2.3C10H14O/c1-3-23(2)25-17-19-26(20-18-25)34-32(33-22-21-24-11-5-4-6-12-24)31-27-13-7-9-15-29(27)35-30-16-10-8-14-28(30)31;1-3-21(2)22-17-19-24(20-18-22)32-30(31-23-11-5-4-6-12-23)29-25-13-7-9-15-27(25)33-28-16-10-8-14-26(28)29;1-4-17(2)18-13-15-19(16-14-18)27-25(26-3)24-20-9-5-7-11-22(20)28-23-12-8-6-10-21(23)24;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;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;3*1-3-8(2)9-4-6-10(11)7-5-9/h4-20,23,31-32H,3,21-22H2,1-2H3;7-10,13-21,23,29-30H,3-6,11-12H2,1-2H3;5-17,24-25H,4H2,1-3H3;1-15H;4-8H,3H2,1-2H3,(H,20,21,22);3*4-8,11H,3H2,1-2H3/q;;;+1;;;;/p-1
• InChIKey: HOCVDWMXPOHRHL-UHFFFAOYSA-M
• XLogP: 39.56
• TPSA: 244.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 39
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2439.09
LogP ≤ 5	39.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris(4-butan-2-ylphenol);9-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-methoxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-9H-xanthene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium?

The IUPAC name of tris(4-butan-2-ylphenol);9-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-methoxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-9H-xanthene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium (CID 158537517) is tris(4-butan-2-ylphenol);9-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-methoxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-9H-xanthene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium.

What is the SMILES notation for tris(4-butan-2-ylphenol);9-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-methoxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-9H-xanthene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium?

The canonical SMILES for tris(4-butan-2-ylphenol);9-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-methoxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-9H-xanthene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium is CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(OC)C2c3ccccc3Oc3ccccc32)cc1.CCC(C)c1ccc(OC(OC2CCCCC2)C2c3ccccc3Oc3ccccc32)cc1.CCC(C)c1ccc(OC(OCCc2ccccc2)C2c3ccccc3Oc3ccccc32)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of tris(4-butan-2-ylphenol);9-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-methoxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-9H-xanthene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium?

The InChIKey is HOCVDWMXPOHRHL-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H32O3.C30H34O3.C25H26O3.C18H15S.C13H14F6O6S2.3C10H14O/c1-3-23(2)25-17-19-26(20-18-25)34-32(33-22-21-24-11-5-4-6-12-24)31-27-13-7-9-15-29(27)35-30-16-10-8-14-28(30)31;1-3-21(2)22-17-19-24(20-18-22)32-30(31-23-11-5-4-6-12-23)29-25-13-7-9-15-27(25)33-28-16-10-8-14-26(28)29;1-4-17(2)18-13-15-19(16-14-18)27-25(26-3)24-20-9-5-7-11-22(20)28-23-12-8-6-10-21(23)24;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;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;3*1-3-8(2)9-4-6-10(11)7-5-9/h4-20,23,31-32H,3,21-22H2,1-2H3;7-10,13-21,23,29-30H,3-6,11-12H2,1-2H3;5-17,24-25H,4H2,1-3H3;1-15H;4-8H,3H2,1-2H3,(H,20,21,22);3*4-8,11H,3H2,1-2H3/q;;;+1;;;;/p-1.

What are the key properties of tris(4-butan-2-ylphenol);9-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-methoxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-9H-xanthene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium?

tris(4-butan-2-ylphenol);9-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-methoxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-9H-xanthene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium has a molecular weight of 2439.09 g/mol, XLogP of 39.56, 39 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tris(4-butan-2-ylphenol);9-[(4-butan-2-ylphenoxy)-cyclohexyloxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-methoxymethyl]-9H-xanthene;9-[(4-butan-2-ylphenoxy)-(2-phenylethoxy)methyl]-9H-xanthene;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;triphenylsulfanium is sourced from PubChem (CID 158537517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).