methyl(tetradecyl)azanium;tetraphenylboranuide

C39H54BN — CID 175491295

IUPACmethyl(tetradecyl)azanium;tetraphenylboranuide
SMILESCCCCCCCCCCCCCC[NH2+]C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C15H33N/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-2/h1-20H;16H,3-15H2,1-2H3/q-1;/p+1
InChIKeyDYAPZLZBKNNSSU-UHFFFAOYSA-O
MW547.68 g/mol
LogP6.94
Rot. Bonds17

About methyl(tetradecyl)azanium;tetraphenylboranuide

methyl(tetradecyl)azanium;tetraphenylboranuide (PubChem CID 175491295) has the molecular formula C39H54BN and a molecular weight of 547.68 g/mol. Its IUPAC name is methyl(tetradecyl)azanium;tetraphenylboranuide.

Molecular Properties

Compound Namemethyl(tetradecyl)azanium;tetraphenylboranuide
PubChem CID175491295
Molecular FormulaC39H54BN
Molecular Weight547.68 g/mol
Exact Mass547.43
IUPAC Namemethyl(tetradecyl)azanium;tetraphenylboranuide
SMILESCCCCCCCCCCCCCC[NH2+]C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C15H33N/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-2/h1-20H;16H,3-15H2,1-2H3/q-1;/p+1
InChIKeyDYAPZLZBKNNSSU-UHFFFAOYSA-O
XLogP6.94
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.68
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

azanium;methyl(dioctadecyl)azanium;bis(tetraphenylboranuide)
CID 142622212
tetraphenylboranuide;trihexyl(phenyl)phosphanium
CID 87662204
1,1'-biphenyl;hexadecane
CID 173308514
didodecylazanium;tetrakis(4-fluorophenyl)boranuide
CID 139833691
methyl(17-phenylheptadecyl)azanium fluoride
CID 163283532
tetraphenylboranuide;triethylazanium
CID 11080326
phosphanium (3-butylphenyl)-triphenylboranuide
CID 154605445
methyl(triphenyl)boranuide;tetraoctylazanium
CID 22102131
benzene;heptane;hexane;toluene
CID 160959480
bis(heptane);toluene
CID 157306102
diheptyl-methyl-(2-phenylprop-2-enyl)azanium;tetraphenylboranuide
CID 161058634
dodecyl(methyl)azanium nitrate
CID 161374202

Frequently Asked Questions

What is the IUPAC name of methyl(tetradecyl)azanium;tetraphenylboranuide?
The IUPAC name of methyl(tetradecyl)azanium;tetraphenylboranuide (CID 175491295) is methyl(tetradecyl)azanium;tetraphenylboranuide.
What is the SMILES notation for methyl(tetradecyl)azanium;tetraphenylboranuide?
The canonical SMILES for methyl(tetradecyl)azanium;tetraphenylboranuide is CCCCCCCCCCCCCC[NH2+]C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of methyl(tetradecyl)azanium;tetraphenylboranuide?
The InChIKey is DYAPZLZBKNNSSU-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H20B.C15H33N/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-2/h1-20H;16H,3-15H2,1-2H3/q-1;/p+1.
What are the key properties of methyl(tetradecyl)azanium;tetraphenylboranuide?
methyl(tetradecyl)azanium;tetraphenylboranuide has a molecular weight of 547.68 g/mol, XLogP of 6.94, 17 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(tetradecyl)azanium;tetraphenylboranuide is sourced from PubChem (CID 175491295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).