dimethyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

C32H12BF20N — CID 10996402

IUPACdimethyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESC[NH+](C)c1ccccc1.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
InChIInChI=1S/C24BF20.C8H11N/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;1-9(2)8-6-4-3-5-7-8/h;3-7H,1-2H3/q-1;/p+1
InChIKeyBRHZQNMGSKUUMN-UHFFFAOYSA-O
MW801.23 g/mol
LogP6.31
Rot. Bonds5

About dimethyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

dimethyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 10996402) has the molecular formula C32H12BF20N and a molecular weight of 801.23 g/mol. Its IUPAC name is dimethyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

Compound Namedimethyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
PubChem CID10996402
Molecular FormulaC32H12BF20N
Molecular Weight801.23 g/mol
Exact Mass801.07
IUPAC Namedimethyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESC[NH+](C)c1ccccc1.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
InChIInChI=1S/C24BF20.C8H11N/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;1-9(2)8-6-4-3-5-7-8/h;3-7H,1-2H3/q-1;/p+1
InChIKeyBRHZQNMGSKUUMN-UHFFFAOYSA-O
XLogP6.31
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.23
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The IUPAC name of dimethyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (CID 10996402) is dimethyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.
What is the SMILES notation for dimethyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The canonical SMILES for dimethyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is C[NH+](C)c1ccccc1.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 dimethyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The InChIKey is BRHZQNMGSKUUMN-UHFFFAOYSA-O. The full InChI is InChI=1S/C24BF20.C8H11N/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;1-9(2)8-6-4-3-5-7-8/h;3-7H,1-2H3/q-1;/p+1.
What are the key properties of dimethyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
dimethyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 801.23 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(phenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 10996402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).