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

C47H24BF20OP — CID 139734320

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

cyclopentyloxy(triphenyl)phosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 139734320) has the molecular formula C47H24BF20OP and a molecular weight of 1026.45 g/mol. Its IUPAC name is cyclopentyloxy(triphenyl)phosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

• Compound Name: cyclopentyloxy(triphenyl)phosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
• PubChem CID: 139734320
• Molecular Formula: C47H24BF20OP
• Molecular Weight: 1026.45 g/mol
• Exact Mass: 1026.13
• IUPAC Name: cyclopentyloxy(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+](OC2CCCC2)(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C24BF20.C23H24OP/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;1-4-14-21(15-5-1)25(22-16-6-2-7-17-22,23-18-8-3-9-19-23)24-20-12-10-11-13-20/h;1-9,14-20H,10-13H2/q-1;+1
• InChIKey: GXXGMOMYMMBROS-UHFFFAOYSA-N
• XLogP: 10.70
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1026.45
LogP ≤ 5	10.70
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 cyclopentyloxy(triphenyl)phosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

The IUPAC name of cyclopentyloxy(triphenyl)phosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (CID 139734320) is cyclopentyloxy(triphenyl)phosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

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

The canonical SMILES for cyclopentyloxy(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+](OC2CCCC2)(c2ccccc2)c2ccccc2)cc1.

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

The InChIKey is GXXGMOMYMMBROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24BF20.C23H24OP/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;1-4-14-21(15-5-1)25(22-16-6-2-7-17-22,23-18-8-3-9-19-23)24-20-12-10-11-13-20/h;1-9,14-20H,10-13H2/q-1;+1.

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

cyclopentyloxy(triphenyl)phosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 1026.45 g/mol, XLogP of 10.70, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyloxy(triphenyl)phosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 139734320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).