dipropylphosphanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(8-ethyl-2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide

C66H40BF30P — CID 22637530

About dipropylphosphanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(8-ethyl-2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide

dipropylphosphanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(8-ethyl-2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide (PubChem CID 22637530) has the molecular formula C66H40BF30P and a molecular weight of 1444.77 g/mol. Its IUPAC name is dipropylphosphanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(8-ethyl-2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide.

Molecular Properties

• Compound Name: dipropylphosphanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(8-ethyl-2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide
• PubChem CID: 22637530
• Molecular Formula: C66H40BF30P
• Molecular Weight: 1444.77 g/mol
• Exact Mass: 1444.25
• IUPAC Name: dipropylphosphanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(8-ethyl-2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide
• SMILES: CCC[PH2+]CCC.CCc1c(F)c(F)c(F)c2c(F)c(F)c(F)c([B-](c3c(F)c(F)c(F)c4c(F)c(F)c(F)c(CC)c34)(c3c(F)c(F)c(F)c4c(F)c(F)c(F)c(CC)c34)c3c(F)c(F)c(F)c4c(F)c(F)c(F)c(CC)c34)c12.Fc1ccccc1-c1c(F)c(F)c(F)c(F)c1F
• InChI: InChI=1S/C48H20BF24.C12H4F6.C6H15P/c1-5-9-13-17(29(54)41(66)25(9)50)33(58)45(70)37(62)21(13)49(22-14-10(6-2)26(51)42(67)30(55)18(14)34(59)46(71)38(22)63,23-15-11(7-3)27(52)43(68)31(56)19(15)35(60)47(72)39(23)64)24-16-12(8-4)28(53)44(69)32(57)20(16)36(61)48(73)40(24)65;13-6-4-2-1-3-5(6)7-8(14)10(16)12(18)11(17)9(7)15;1-3-5-7-6-4-2/h5-8H2,1-4H3;1-4H;7H,3-6H2,1-2H3/q-1;;/p+1
• InChIKey: DAPUEKACACWXLD-UHFFFAOYSA-O
• XLogP: 19.67
• TPSA: 0.00 Ų
• Rotatable Bonds: 13
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1444.77
LogP ≤ 5	19.67
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': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipropylphosphanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(8-ethyl-2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide?

The IUPAC name of dipropylphosphanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(8-ethyl-2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide (CID 22637530) is dipropylphosphanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(8-ethyl-2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide.

What is the SMILES notation for dipropylphosphanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(8-ethyl-2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide?

The canonical SMILES for dipropylphosphanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(8-ethyl-2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide is CCC[PH2+]CCC.CCc1c(F)c(F)c(F)c2c(F)c(F)c(F)c([B-](c3c(F)c(F)c(F)c4c(F)c(F)c(F)c(CC)c34)(c3c(F)c(F)c(F)c4c(F)c(F)c(F)c(CC)c34)c3c(F)c(F)c(F)c4c(F)c(F)c(F)c(CC)c34)c12.Fc1ccccc1-c1c(F)c(F)c(F)c(F)c1F.

What is the InChIKey of dipropylphosphanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(8-ethyl-2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide?

The InChIKey is DAPUEKACACWXLD-UHFFFAOYSA-O. The full InChI is InChI=1S/C48H20BF24.C12H4F6.C6H15P/c1-5-9-13-17(29(54)41(66)25(9)50)33(58)45(70)37(62)21(13)49(22-14-10(6-2)26(51)42(67)30(55)18(14)34(59)46(71)38(22)63,23-15-11(7-3)27(52)43(68)31(56)19(15)35(60)47(72)39(23)64)24-16-12(8-4)28(53)44(69)32(57)20(16)36(61)48(73)40(24)65;13-6-4-2-1-3-5(6)7-8(14)10(16)12(18)11(17)9(7)15;1-3-5-7-6-4-2/h5-8H2,1-4H3;1-4H;7H,3-6H2,1-2H3/q-1;;/p+1.

What are the key properties of dipropylphosphanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(8-ethyl-2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide?

dipropylphosphanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(8-ethyl-2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide has a molecular weight of 1444.77 g/mol, XLogP of 19.67, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for dipropylphosphanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(8-ethyl-2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide is sourced from PubChem (CID 22637530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).