diphenyl(trifluoromethyl)phosphanium;tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]boranuide

C41H19BF23P — CID 158532434

About diphenyl(trifluoromethyl)phosphanium;tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]boranuide

diphenyl(trifluoromethyl)phosphanium;tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]boranuide (PubChem CID 158532434) has the molecular formula C41H19BF23P and a molecular weight of 990.34 g/mol. Its IUPAC name is diphenyl(trifluoromethyl)phosphanium;tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]boranuide.

Molecular Properties

• Compound Name: diphenyl(trifluoromethyl)phosphanium;tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]boranuide
• PubChem CID: 158532434
• Molecular Formula: C41H19BF23P
• Molecular Weight: 990.34 g/mol
• Exact Mass: 990.10
• IUPAC Name: diphenyl(trifluoromethyl)phosphanium;tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]boranuide
• SMILES: FC(F)(F)[PH+](c1ccccc1)c1ccccc1.Fc1c(F)c(F)c(C[B-](Cc2c(F)c(F)c(F)c(F)c2F)(Cc2c(F)c(F)c(F)c(F)c2F)Cc2c(F)c(F)c(F)c(F)c2F)c(F)c1F
• InChI: InChI=1S/C28H8BF20.C13H10F3P/c30-9-5(10(31)18(39)25(46)17(9)38)1-29(2-6-11(32)19(40)26(47)20(41)12(6)33,3-7-13(34)21(42)27(48)22(43)14(7)35)4-8-15(36)23(44)28(49)24(45)16(8)37;14-13(15,16)17(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-4H2;1-10H/q-1;/p+1
• InChIKey: HNNNCPKEXHFZDP-UHFFFAOYSA-O
• XLogP: 12.72
• TPSA: 0.00 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	990.34
LogP ≤ 5	12.72
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': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of diphenyl(trifluoromethyl)phosphanium;tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]boranuide?

The IUPAC name of diphenyl(trifluoromethyl)phosphanium;tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]boranuide (CID 158532434) is diphenyl(trifluoromethyl)phosphanium;tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]boranuide.

What is the SMILES notation for diphenyl(trifluoromethyl)phosphanium;tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]boranuide?

The canonical SMILES for diphenyl(trifluoromethyl)phosphanium;tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]boranuide is FC(F)(F)[PH+](c1ccccc1)c1ccccc1.Fc1c(F)c(F)c(C[B-](Cc2c(F)c(F)c(F)c(F)c2F)(Cc2c(F)c(F)c(F)c(F)c2F)Cc2c(F)c(F)c(F)c(F)c2F)c(F)c1F.

What is the InChIKey of diphenyl(trifluoromethyl)phosphanium;tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]boranuide?

The InChIKey is HNNNCPKEXHFZDP-UHFFFAOYSA-O. The full InChI is InChI=1S/C28H8BF20.C13H10F3P/c30-9-5(10(31)18(39)25(46)17(9)38)1-29(2-6-11(32)19(40)26(47)20(41)12(6)33,3-7-13(34)21(42)27(48)22(43)14(7)35)4-8-15(36)23(44)28(49)24(45)16(8)37;14-13(15,16)17(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-4H2;1-10H/q-1;/p+1.

What are the key properties of diphenyl(trifluoromethyl)phosphanium;tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]boranuide?

diphenyl(trifluoromethyl)phosphanium;tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]boranuide has a molecular weight of 990.34 g/mol, XLogP of 12.72, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl(trifluoromethyl)phosphanium;tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]boranuide is sourced from PubChem (CID 158532434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).