methyl(diphenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

C37H14BF20N — CID 15822273

IUPACmethyl(diphenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESC[NH+](c1ccccc1)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.C13H13N/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;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h;2-11H,1H3/q-1;/p+1
InChIKeyWPVSVIVSZSOJCL-UHFFFAOYSA-O
MW863.30 g/mol
LogP8.01
Rot. Bonds6

About methyl(diphenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

methyl(diphenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 15822273) has the molecular formula C37H14BF20N and a molecular weight of 863.30 g/mol. Its IUPAC name is methyl(diphenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

Compound Namemethyl(diphenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
PubChem CID15822273
Molecular FormulaC37H14BF20N
Molecular Weight863.30 g/mol
Exact Mass863.09
IUPAC Namemethyl(diphenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESC[NH+](c1ccccc1)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.C13H13N/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;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h;2-11H,1H3/q-1;/p+1
InChIKeyWPVSVIVSZSOJCL-UHFFFAOYSA-O
XLogP8.01
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.30
LogP ≤ 58.01
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 methyl(diphenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The IUPAC name of methyl(diphenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (CID 15822273) is methyl(diphenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.
What is the SMILES notation for methyl(diphenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The canonical SMILES for methyl(diphenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is C[NH+](c1ccccc1)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 methyl(diphenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The InChIKey is WPVSVIVSZSOJCL-UHFFFAOYSA-O. The full InChI is InChI=1S/C24BF20.C13H13N/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;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h;2-11H,1H3/q-1;/p+1.
What are the key properties of methyl(diphenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
methyl(diphenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 863.30 g/mol, XLogP of 8.01, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(diphenyl)azanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 15822273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).