cyclohexyloxy(triphenyl)phosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

C48H26BF20OP — CID 139734538

About cyclohexyloxy(triphenyl)phosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

cyclohexyloxy(triphenyl)phosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 139734538) has the molecular formula C48H26BF20OP and a molecular weight of 1040.48 g/mol. Its IUPAC name is cyclohexyloxy(triphenyl)phosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

• Compound Name: cyclohexyloxy(triphenyl)phosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
• PubChem CID: 139734538
• Molecular Formula: C48H26BF20OP
• Molecular Weight: 1040.48 g/mol
• Exact Mass: 1040.15
• IUPAC Name: cyclohexyloxy(triphenyl)phosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
• SMILES: 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.c1ccc([P+](OC2CCCCC2)(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C24BF20.C24H26OP/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;1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h;2-4,7-12,15-21H,1,5-6,13-14H2/q-1;+1
• InChIKey: OQQYCAIJYGKOES-UHFFFAOYSA-N
• XLogP: 11.09
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1040.48
LogP ≤ 5	11.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclohexyloxy(triphenyl)phosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

The IUPAC name of cyclohexyloxy(triphenyl)phosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (CID 139734538) is cyclohexyloxy(triphenyl)phosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

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

The canonical SMILES for cyclohexyloxy(triphenyl)phosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is 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.c1ccc([P+](OC2CCCCC2)(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of cyclohexyloxy(triphenyl)phosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

The InChIKey is OQQYCAIJYGKOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24BF20.C24H26OP/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;1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h;2-4,7-12,15-21H,1,5-6,13-14H2/q-1;+1.

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

cyclohexyloxy(triphenyl)phosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 1040.48 g/mol, XLogP of 11.09, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyloxy(triphenyl)phosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 139734538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).