bis(2-[3-acetyl-5-hydroxy-6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;tris(10-phenyl-9H-thioxanthen-10-ium)

C145H134F20O32S8 — CID 157206122

About bis(2-[3-acetyl-5-hydroxy-6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;tris(10-phenyl-9H-thioxanthen-10-ium)

bis(2-[3-acetyl-5-hydroxy-6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;tris(10-phenyl-9H-thioxanthen-10-ium) (PubChem CID 157206122) has the molecular formula C145H134F20O32S8 and a molecular weight of 3025.13 g/mol. Its IUPAC name is bis(2-[3-acetyl-5-hydroxy-6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;tris(10-phenyl-9H-thioxanthen-10-ium).

Molecular Properties

• Compound Name: bis(2-[3-acetyl-5-hydroxy-6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;tris(10-phenyl-9H-thioxanthen-10-ium)
• PubChem CID: 157206122
• Molecular Formula: C145H134F20O32S8
• Molecular Weight: 3025.13 g/mol
• Exact Mass: 3022.63
• IUPAC Name: bis(2-[3-acetyl-5-hydroxy-6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;tris(10-phenyl-9H-thioxanthen-10-ium)
• SMILES: C=C(C)C(=O)OC12CC3CC(C1)C(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C(C3)C2.C=C(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])(C3)C2.C=C(C)C(=O)OC1C(O)C2CC1C(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C2C(C)=O.C=C(C)C(=O)OC1C(O)C2CC1C(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C2C(C)=O.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+]2c3ccccc3Cc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Cc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Cc3ccccc32)cc1
• InChI: InChI=1S/3C19H15S.2C18H21F5O7S.C18H13S.2C17H19F5O9S/c3*1-2-10-17(11-3-1)20-18-12-6-4-8-15(18)14-16-9-5-7-13-19(16)20;1-9(2)12(24)30-16-6-10-3-11(7-16)5-15(4-10,8-16)14(25)29-13(17(19,20)21)18(22,23)31(26,27)28;1-8(2)13(24)30-16-5-9-3-10(6-16)12(11(4-9)7-16)14(25)29-15(17(19,20)21)18(22,23)31(26,27)28;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;2*1-5(2)13(25)30-12-8-4-7(11(12)24)9(6(3)23)10(8)14(26)31-15(16(18,19)20)17(21,22)32(27,28)29/h3*1-13H,14H2;10-11,13H,1,3-8H2,2H3,(H,26,27,28);9-12,15H,1,3-7H2,2H3,(H,26,27,28);1-13H;2*7-12,15,24H,1,4H2,2-3H3,(H,27,28,29)/q3*+1;;;+1;;/p-4
• InChIKey: ARJNRLQSYIIUEZ-UHFFFAOYSA-J
• XLogP: 27.60
• TPSA: 513.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3025.13
LogP ≤ 5	27.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-[3-acetyl-5-hydroxy-6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;tris(10-phenyl-9H-thioxanthen-10-ium)?

The IUPAC name of bis(2-[3-acetyl-5-hydroxy-6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;tris(10-phenyl-9H-thioxanthen-10-ium) (CID 157206122) is bis(2-[3-acetyl-5-hydroxy-6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;tris(10-phenyl-9H-thioxanthen-10-ium).

What is the SMILES notation for bis(2-[3-acetyl-5-hydroxy-6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;tris(10-phenyl-9H-thioxanthen-10-ium)?

The canonical SMILES for bis(2-[3-acetyl-5-hydroxy-6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;tris(10-phenyl-9H-thioxanthen-10-ium) is C=C(C)C(=O)OC12CC3CC(C1)C(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C(C3)C2.C=C(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])(C3)C2.C=C(C)C(=O)OC1C(O)C2CC1C(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C2C(C)=O.C=C(C)C(=O)OC1C(O)C2CC1C(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C2C(C)=O.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+]2c3ccccc3Cc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Cc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Cc3ccccc32)cc1.

What is the InChIKey of bis(2-[3-acetyl-5-hydroxy-6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;tris(10-phenyl-9H-thioxanthen-10-ium)?

The InChIKey is ARJNRLQSYIIUEZ-UHFFFAOYSA-J. The full InChI is InChI=1S/3C19H15S.2C18H21F5O7S.C18H13S.2C17H19F5O9S/c3*1-2-10-17(11-3-1)20-18-12-6-4-8-15(18)14-16-9-5-7-13-19(16)20;1-9(2)12(24)30-16-6-10-3-11(7-16)5-15(4-10,8-16)14(25)29-13(17(19,20)21)18(22,23)31(26,27)28;1-8(2)13(24)30-16-5-9-3-10(6-16)12(11(4-9)7-16)14(25)29-15(17(19,20)21)18(22,23)31(26,27)28;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;2*1-5(2)13(25)30-12-8-4-7(11(12)24)9(6(3)23)10(8)14(26)31-15(16(18,19)20)17(21,22)32(27,28)29/h3*1-13H,14H2;10-11,13H,1,3-8H2,2H3,(H,26,27,28);9-12,15H,1,3-7H2,2H3,(H,26,27,28);1-13H;2*7-12,15,24H,1,4H2,2-3H3,(H,27,28,29)/q3*+1;;;+1;;/p-4.

What are the key properties of bis(2-[3-acetyl-5-hydroxy-6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;tris(10-phenyl-9H-thioxanthen-10-ium)?

bis(2-[3-acetyl-5-hydroxy-6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;tris(10-phenyl-9H-thioxanthen-10-ium) has a molecular weight of 3025.13 g/mol, XLogP of 27.60, 30 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[3-acetyl-5-hydroxy-6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate);1,1,3,3,3-pentafluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[5-(2-methylprop-2-enoyloxy)adamantane-2-carbonyl]oxypropane-1-sulfonate;5-phenyldibenzothiophen-5-ium;tris(10-phenyl-9H-thioxanthen-10-ium) is sourced from PubChem (CID 157206122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).