(4-tert-butylphenyl)-(4-methylphenyl)iodanium;(4-ethenylphenyl)-(4-propan-2-ylphenyl)iodanium;(4-ethenyl-2,3,5,6-tetrafluorophenyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide;tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide

C92H53B2F35I2 — CID 158403235

About (4-tert-butylphenyl)-(4-methylphenyl)iodanium;(4-ethenylphenyl)-(4-propan-2-ylphenyl)iodanium;(4-ethenyl-2,3,5,6-tetrafluorophenyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide;tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide

(4-tert-butylphenyl)-(4-methylphenyl)iodanium;(4-ethenylphenyl)-(4-propan-2-ylphenyl)iodanium;(4-ethenyl-2,3,5,6-tetrafluorophenyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide;tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide (PubChem CID 158403235) has the molecular formula C92H53B2F35I2 and a molecular weight of 2098.80 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(4-methylphenyl)iodanium;(4-ethenylphenyl)-(4-propan-2-ylphenyl)iodanium;(4-ethenyl-2,3,5,6-tetrafluorophenyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide;tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide.

Molecular Properties

• Compound Name: (4-tert-butylphenyl)-(4-methylphenyl)iodanium;(4-ethenylphenyl)-(4-propan-2-ylphenyl)iodanium;(4-ethenyl-2,3,5,6-tetrafluorophenyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide;tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide
• PubChem CID: 158403235
• Molecular Formula: C92H53B2F35I2
• Molecular Weight: 2098.80 g/mol
• Exact Mass: 2098.19
• IUPAC Name: (4-tert-butylphenyl)-(4-methylphenyl)iodanium;(4-ethenylphenyl)-(4-propan-2-ylphenyl)iodanium;(4-ethenyl-2,3,5,6-tetrafluorophenyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide;tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide
• SMILES: C=Cc1c(F)c(F)c([B-](c2c(F)c(F)c(C=C)c(F)c2F)(c2c(F)c(F)c(C=C)c(F)c2F)c2c(F)c(F)c(C=C)c(F)c2F)c(F)c1F.C=Cc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.C=Cc1ccc([I+]c2ccc(C(C)C)cc2)cc1.Cc1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1
• InChI: InChI=1S/C32H12BF16.C26H3BF19.C17H20I.C17H18I/c1-5-9-17(34)25(42)13(26(43)18(9)35)33(14-27(44)19(36)10(6-2)20(37)28(14)45,15-29(46)21(38)11(7-3)22(39)30(15)47)16-31(48)23(40)12(8-4)24(41)32(16)49;1-2-3-8(28)10(30)4(11(31)9(3)29)27(5-12(32)18(38)24(44)19(39)13(5)33,6-14(34)20(40)25(45)21(41)15(6)35)7-16(36)22(42)26(46)23(43)17(7)37;1-13-5-9-15(10-6-13)18-16-11-7-14(8-12-16)17(2,3)4;1-4-14-5-9-16(10-6-14)18-17-11-7-15(8-12-17)13(2)3/h5-8H,1-4H2;2H,1H2;5-12H,1-4H3;4-13H,1H2,2-3H3/q2*-1;2*+1
• InChIKey: GYIZVKYWKAWWOU-UHFFFAOYSA-N
• XLogP: 17.21
• TPSA: 0.00 Ų
• Rotatable Bonds: 19
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2098.80
LogP ≤ 5	17.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(4-methylphenyl)iodanium;(4-ethenylphenyl)-(4-propan-2-ylphenyl)iodanium;(4-ethenyl-2,3,5,6-tetrafluorophenyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide;tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide?

The IUPAC name of (4-tert-butylphenyl)-(4-methylphenyl)iodanium;(4-ethenylphenyl)-(4-propan-2-ylphenyl)iodanium;(4-ethenyl-2,3,5,6-tetrafluorophenyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide;tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide (CID 158403235) is (4-tert-butylphenyl)-(4-methylphenyl)iodanium;(4-ethenylphenyl)-(4-propan-2-ylphenyl)iodanium;(4-ethenyl-2,3,5,6-tetrafluorophenyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide;tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide.

What is the SMILES notation for (4-tert-butylphenyl)-(4-methylphenyl)iodanium;(4-ethenylphenyl)-(4-propan-2-ylphenyl)iodanium;(4-ethenyl-2,3,5,6-tetrafluorophenyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide;tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide?

The canonical SMILES for (4-tert-butylphenyl)-(4-methylphenyl)iodanium;(4-ethenylphenyl)-(4-propan-2-ylphenyl)iodanium;(4-ethenyl-2,3,5,6-tetrafluorophenyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide;tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide is C=Cc1c(F)c(F)c([B-](c2c(F)c(F)c(C=C)c(F)c2F)(c2c(F)c(F)c(C=C)c(F)c2F)c2c(F)c(F)c(C=C)c(F)c2F)c(F)c1F.C=Cc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.C=Cc1ccc([I+]c2ccc(C(C)C)cc2)cc1.Cc1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.

What is the InChIKey of (4-tert-butylphenyl)-(4-methylphenyl)iodanium;(4-ethenylphenyl)-(4-propan-2-ylphenyl)iodanium;(4-ethenyl-2,3,5,6-tetrafluorophenyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide;tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide?

The InChIKey is GYIZVKYWKAWWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H12BF16.C26H3BF19.C17H20I.C17H18I/c1-5-9-17(34)25(42)13(26(43)18(9)35)33(14-27(44)19(36)10(6-2)20(37)28(14)45,15-29(46)21(38)11(7-3)22(39)30(15)47)16-31(48)23(40)12(8-4)24(41)32(16)49;1-2-3-8(28)10(30)4(11(31)9(3)29)27(5-12(32)18(38)24(44)19(39)13(5)33,6-14(34)20(40)25(45)21(41)15(6)35)7-16(36)22(42)26(46)23(43)17(7)37;1-13-5-9-15(10-6-13)18-16-11-7-14(8-12-16)17(2,3)4;1-4-14-5-9-16(10-6-14)18-17-11-7-15(8-12-17)13(2)3/h5-8H,1-4H2;2H,1H2;5-12H,1-4H3;4-13H,1H2,2-3H3/q2*-1;2*+1.

What are the key properties of (4-tert-butylphenyl)-(4-methylphenyl)iodanium;(4-ethenylphenyl)-(4-propan-2-ylphenyl)iodanium;(4-ethenyl-2,3,5,6-tetrafluorophenyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide;tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide?

(4-tert-butylphenyl)-(4-methylphenyl)iodanium;(4-ethenylphenyl)-(4-propan-2-ylphenyl)iodanium;(4-ethenyl-2,3,5,6-tetrafluorophenyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide;tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide has a molecular weight of 2098.80 g/mol, XLogP of 17.21, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (4-tert-butylphenyl)-(4-methylphenyl)iodanium;(4-ethenylphenyl)-(4-propan-2-ylphenyl)iodanium;(4-ethenyl-2,3,5,6-tetrafluorophenyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide;tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide is sourced from PubChem (CID 158403235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).