dibutyl-cyclohexyl-methylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

C39H32BF20N — CID 87935440

IUPACdibutyl-cyclohexyl-methylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESCCCC[N+](C)(CCCC)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.C15H32N/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;1-4-6-13-16(3,14-7-5-2)15-11-9-8-10-12-15/h;15H,4-14H2,1-3H3/q-1;+1
InChIKeyQQFXOYYUYHKGIW-UHFFFAOYSA-N
MW905.46 g/mol
LogP10.21
Rot. Bonds11

About dibutyl-cyclohexyl-methylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide

dibutyl-cyclohexyl-methylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 87935440) has the molecular formula C39H32BF20N and a molecular weight of 905.46 g/mol. Its IUPAC name is dibutyl-cyclohexyl-methylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

Compound Namedibutyl-cyclohexyl-methylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
PubChem CID87935440
Molecular FormulaC39H32BF20N
Molecular Weight905.46 g/mol
Exact Mass905.23
IUPAC Namedibutyl-cyclohexyl-methylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESCCCC[N+](C)(CCCC)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.C15H32N/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;1-4-6-13-16(3,14-7-5-2)15-11-9-8-10-12-15/h;15H,4-14H2,1-3H3/q-1;+1
InChIKeyQQFXOYYUYHKGIW-UHFFFAOYSA-N
XLogP10.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.46
LogP ≤ 510.21
H-Bond Donors ≤ 50
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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze dibutyl-cyclohexyl-methylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dibutyl-cyclohexyl-methylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The IUPAC name of dibutyl-cyclohexyl-methylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide (CID 87935440) is dibutyl-cyclohexyl-methylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide.
What is the SMILES notation for dibutyl-cyclohexyl-methylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The canonical SMILES for dibutyl-cyclohexyl-methylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is CCCC[N+](C)(CCCC)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 dibutyl-cyclohexyl-methylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
The InChIKey is QQFXOYYUYHKGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24BF20.C15H32N/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;1-4-6-13-16(3,14-7-5-2)15-11-9-8-10-12-15/h;15H,4-14H2,1-3H3/q-1;+1.
What are the key properties of dibutyl-cyclohexyl-methylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide?
dibutyl-cyclohexyl-methylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 905.46 g/mol, XLogP of 10.21, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-cyclohexyl-methylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 87935440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).