(4-dodecylphenyl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

C42H30BF20I — CID 175789499

About (4-dodecylphenyl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

(4-dodecylphenyl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 175789499) has the molecular formula C42H30BF20I and a molecular weight of 1052.38 g/mol. Its IUPAC name is (4-dodecylphenyl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

• Compound Name: (4-dodecylphenyl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
• PubChem CID: 175789499
• Molecular Formula: C42H30BF20I
• Molecular Weight: 1052.38 g/mol
• Exact Mass: 1052.12
• IUPAC Name: (4-dodecylphenyl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
• SMILES: CCCCCCCCCCCCc1ccc([IH+])cc1.Fc1c(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
• InChI: InChI=1S/C24BF20.C18H30I/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h;13-16,19H,2-12H2,1H3/q-1;+1
• InChIKey: NZDNHZBNJLQHIS-UHFFFAOYSA-N
• XLogP: 8.45
• TPSA: 0.00 Ų
• Rotatable Bonds: 15
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1052.38
LogP ≤ 5	8.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-dodecylphenyl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

The IUPAC name of (4-dodecylphenyl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (CID 175789499) is (4-dodecylphenyl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

What is the SMILES notation for (4-dodecylphenyl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

The canonical SMILES for (4-dodecylphenyl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is CCCCCCCCCCCCc1ccc([IH+])cc1.Fc1c(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.

What is the InChIKey of (4-dodecylphenyl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

The InChIKey is NZDNHZBNJLQHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24BF20.C18H30I/c26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h;13-16,19H,2-12H2,1H3/q-1;+1.

What are the key properties of (4-dodecylphenyl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

(4-dodecylphenyl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 1052.38 g/mol, XLogP of 8.45, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (4-dodecylphenyl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 175789499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).