bis(2-dodecylphenyl)phosphanium;(4-octoxyphenyl)-phenylphosphanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

C112H100B2F44OP2 — CID 160620044

About bis(2-dodecylphenyl)phosphanium;(4-octoxyphenyl)-phenylphosphanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

bis(2-dodecylphenyl)phosphanium;(4-octoxyphenyl)-phenylphosphanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 160620044) has the molecular formula C112H100B2F44OP2 and a molecular weight of 2381.51 g/mol. Its IUPAC name is bis(2-dodecylphenyl)phosphanium;(4-octoxyphenyl)-phenylphosphanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

• Compound Name: bis(2-dodecylphenyl)phosphanium;(4-octoxyphenyl)-phenylphosphanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
• PubChem CID: 160620044
• Molecular Formula: C112H100B2F44OP2
• Molecular Weight: 2381.51 g/mol
• Exact Mass: 2380.67
• IUPAC Name: bis(2-dodecylphenyl)phosphanium;(4-octoxyphenyl)-phenylphosphanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
• SMILES: CCCCCCCCCCCCc1ccccc1[PH2+]c1ccccc1CCCCCCCCCCCC.CCCCCCCCOc1ccc([PH2+]c2ccccc2)cc1.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.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/C36H59P.C32H12BF24.C24BF20.C20H27OP/c1-3-5-7-9-11-13-15-17-19-21-27-33-29-23-25-31-35(33)37-36-32-26-24-30-34(36)28-22-20-18-16-14-12-10-8-6-4-2;34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;26-5-1(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;1-2-3-4-5-6-10-17-21-18-13-15-20(16-14-18)22-19-11-8-7-9-12-19/h23-26,29-32,37H,3-22,27-28H2,1-2H3;1-12H;;7-9,11-16,22H,2-6,10,17H2,1H3/q;2*-1;/p+2
• InChIKey: RGOYOQWUAQRYOJ-UHFFFAOYSA-P
• XLogP: 32.82
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 42
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2381.51
LogP ≤ 5	32.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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 bis(2-dodecylphenyl)phosphanium;(4-octoxyphenyl)-phenylphosphanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

The IUPAC name of bis(2-dodecylphenyl)phosphanium;(4-octoxyphenyl)-phenylphosphanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (CID 160620044) is bis(2-dodecylphenyl)phosphanium;(4-octoxyphenyl)-phenylphosphanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

What is the SMILES notation for bis(2-dodecylphenyl)phosphanium;(4-octoxyphenyl)-phenylphosphanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

The canonical SMILES for bis(2-dodecylphenyl)phosphanium;(4-octoxyphenyl)-phenylphosphanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is CCCCCCCCCCCCc1ccccc1[PH2+]c1ccccc1CCCCCCCCCCCC.CCCCCCCCOc1ccc([PH2+]c2ccccc2)cc1.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.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 bis(2-dodecylphenyl)phosphanium;(4-octoxyphenyl)-phenylphosphanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

The InChIKey is RGOYOQWUAQRYOJ-UHFFFAOYSA-P. The full InChI is InChI=1S/C36H59P.C32H12BF24.C24BF20.C20H27OP/c1-3-5-7-9-11-13-15-17-19-21-27-33-29-23-25-31-35(33)37-36-32-26-24-30-34(36)28-22-20-18-16-14-12-10-8-6-4-2;34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;26-5-1(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;1-2-3-4-5-6-10-17-21-18-13-15-20(16-14-18)22-19-11-8-7-9-12-19/h23-26,29-32,37H,3-22,27-28H2,1-2H3;1-12H;;7-9,11-16,22H,2-6,10,17H2,1H3/q;2*-1;/p+2.

What are the key properties of bis(2-dodecylphenyl)phosphanium;(4-octoxyphenyl)-phenylphosphanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?

bis(2-dodecylphenyl)phosphanium;(4-octoxyphenyl)-phenylphosphanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 2381.51 g/mol, XLogP of 32.82, 42 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-dodecylphenyl)phosphanium;(4-octoxyphenyl)-phenylphosphanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 160620044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).