phenylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

C30H8BF20N — CID 10876453

IUPACphenylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESFc1c(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.[NH3+]c1ccccc1
InChIInChI=1S/C24BF20.C6H7N/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;7-6-4-2-1-3-5-6/h;1-5H,7H2/q-1;/p+1
InChIKeyLPMZWOGSHOVIIE-UHFFFAOYSA-O
MW773.17 g/mol
LogP6.41
Rot. Bonds4

About phenylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

phenylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 10876453) has the molecular formula C30H8BF20N and a molecular weight of 773.17 g/mol. Its IUPAC name is phenylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

Compound Namephenylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
PubChem CID10876453
Molecular FormulaC30H8BF20N
Molecular Weight773.17 g/mol
Exact Mass773.04
IUPAC Namephenylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESFc1c(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.[NH3+]c1ccccc1
InChIInChI=1S/C24BF20.C6H7N/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;7-6-4-2-1-3-5-6/h;1-5H,7H2/q-1;/p+1
InChIKeyLPMZWOGSHOVIIE-UHFFFAOYSA-O
XLogP6.41
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.17
LogP ≤ 56.41
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 phenylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The IUPAC name of phenylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (CID 10876453) is phenylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.
What is the SMILES notation for phenylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The canonical SMILES for phenylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is 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.[NH3+]c1ccccc1.
What is the InChIKey of phenylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The InChIKey is LPMZWOGSHOVIIE-UHFFFAOYSA-O. The full InChI is InChI=1S/C24BF20.C6H7N/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;7-6-4-2-1-3-5-6/h;1-5H,7H2/q-1;/p+1.
What are the key properties of phenylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
phenylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 773.17 g/mol, XLogP of 6.41, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for phenylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 10876453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).