2,6-dicyclohexyl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate

C165H227O28S8-5 — CID 157185199

About 2,6-dicyclohexyl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate

2,6-dicyclohexyl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate (PubChem CID 157185199) has the molecular formula C165H227O28S8-5 and a molecular weight of 2915.14 g/mol. Its IUPAC name is 2,6-dicyclohexyl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate.

Molecular Properties

• Compound Name: 2,6-dicyclohexyl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate
• PubChem CID: 157185199
• Molecular Formula: C165H227O28S8-5
• Molecular Weight: 2915.14 g/mol
• Exact Mass: 2912.41
• IUPAC Name: 2,6-dicyclohexyl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate
• SMILES: CC(C)c1cc(C(C)C)c(C(=O)Oc2c(C3CCCCC3)cc(S(=O)(=O)[O-])cc2C2CCCCC2)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(S(=O)(=O)Oc2c(C3CCCCC3)cc(S(=O)(=O)[O-])cc2C2CCCCC2)c(C(C)C)c1.Cc1cc(S(=O)(=O)[O-])c(C(C)C)cc1OC(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C.O=S(=O)([O-])c1c(C2CCCCC2)cc(OS(=O)(=O)c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1C1CCCCC1.O=S(=O)([O-])c1ccc(OS(=O)(=O)c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1
• InChI: InChI=1S/C42H60O6S2.C34H48O5S.C33H48O6S2.C30H40O6S2.C26H36O5S/c43-49(44,45)41-39(33-22-12-4-13-23-33)28-36(29-40(41)34-24-14-5-15-25-34)48-50(46,47)42-37(31-18-8-2-9-19-31)26-35(30-16-6-1-7-17-30)27-38(42)32-20-10-3-11-21-32;1-21(2)26-17-28(22(3)4)32(29(18-26)23(5)6)34(35)39-33-30(24-13-9-7-10-14-24)19-27(40(36,37)38)20-31(33)25-15-11-8-12-16-25;1-21(2)26-17-28(22(3)4)33(29(18-26)23(5)6)41(37,38)39-32-30(24-13-9-7-10-14-24)19-27(40(34,35)36)20-31(32)25-15-11-8-12-16-25;31-37(32,33)27-18-16-26(17-19-27)36-38(34,35)30-28(23-12-6-2-7-13-23)20-25(22-10-4-1-5-11-22)21-29(30)24-14-8-3-9-15-24;1-14(2)19-11-21(16(5)6)25(22(12-19)17(7)8)26(27)31-23-13-20(15(3)4)24(10-18(23)9)32(28,29)30/h26-34H,1-25H2,(H,43,44,45);17-25H,7-16H2,1-6H3,(H,36,37,38);17-25H,7-16H2,1-6H3,(H,34,35,36);16-24H,1-15H2,(H,31,32,33);10-17H,1-9H3,(H,28,29,30)/p-5
• InChIKey: APAQJTKJSYYSAE-UHFFFAOYSA-I
• XLogP: 43.81
• TPSA: 468.71 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 40
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2915.14
LogP ≤ 5	43.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenol_ester', '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 2,6-dicyclohexyl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate?

The IUPAC name of 2,6-dicyclohexyl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate (CID 157185199) is 2,6-dicyclohexyl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate.

What is the SMILES notation for 2,6-dicyclohexyl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate?

The canonical SMILES for 2,6-dicyclohexyl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate is CC(C)c1cc(C(C)C)c(C(=O)Oc2c(C3CCCCC3)cc(S(=O)(=O)[O-])cc2C2CCCCC2)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(S(=O)(=O)Oc2c(C3CCCCC3)cc(S(=O)(=O)[O-])cc2C2CCCCC2)c(C(C)C)c1.Cc1cc(S(=O)(=O)[O-])c(C(C)C)cc1OC(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C.O=S(=O)([O-])c1c(C2CCCCC2)cc(OS(=O)(=O)c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1C1CCCCC1.O=S(=O)([O-])c1ccc(OS(=O)(=O)c2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)cc1.

What is the InChIKey of 2,6-dicyclohexyl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate?

The InChIKey is APAQJTKJSYYSAE-UHFFFAOYSA-I. The full InChI is InChI=1S/C42H60O6S2.C34H48O5S.C33H48O6S2.C30H40O6S2.C26H36O5S/c43-49(44,45)41-39(33-22-12-4-13-23-33)28-36(29-40(41)34-24-14-5-15-25-34)48-50(46,47)42-37(31-18-8-2-9-19-31)26-35(30-16-6-1-7-17-30)27-38(42)32-20-10-3-11-21-32;1-21(2)26-17-28(22(3)4)32(29(18-26)23(5)6)34(35)39-33-30(24-13-9-7-10-14-24)19-27(40(36,37)38)20-31(33)25-15-11-8-12-16-25;1-21(2)26-17-28(22(3)4)33(29(18-26)23(5)6)41(37,38)39-32-30(24-13-9-7-10-14-24)19-27(40(34,35)36)20-31(32)25-15-11-8-12-16-25;31-37(32,33)27-18-16-26(17-19-27)36-38(34,35)30-28(23-12-6-2-7-13-23)20-25(22-10-4-1-5-11-22)21-29(30)24-14-8-3-9-15-24;1-14(2)19-11-21(16(5)6)25(22(12-19)17(7)8)26(27)31-23-13-20(15(3)4)24(10-18(23)9)32(28,29)30/h26-34H,1-25H2,(H,43,44,45);17-25H,7-16H2,1-6H3,(H,36,37,38);17-25H,7-16H2,1-6H3,(H,34,35,36);16-24H,1-15H2,(H,31,32,33);10-17H,1-9H3,(H,28,29,30)/p-5.

What are the key properties of 2,6-dicyclohexyl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate?

2,6-dicyclohexyl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate has a molecular weight of 2915.14 g/mol, XLogP of 43.81, 40 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dicyclohexyl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate is sourced from PubChem (CID 157185199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).