methyl(triphenyl)boranuide;tetraoctylazanium

C51H86BN — CID 22102131

IUPACmethyl(triphenyl)boranuide;tetraoctylazanium
SMILESCCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.C[B-](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H68N.C19H18B/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h5-32H2,1-4H3;2-16H,1H3/q+1;-1
InChIKeyRYRDGYGPMKWCGB-UHFFFAOYSA-N
MW724.07 g/mol
LogP14.03
Rot. Bonds31

About methyl(triphenyl)boranuide;tetraoctylazanium

methyl(triphenyl)boranuide;tetraoctylazanium (PubChem CID 22102131) has the molecular formula C51H86BN and a molecular weight of 724.07 g/mol. Its IUPAC name is methyl(triphenyl)boranuide;tetraoctylazanium.

Molecular Properties

Compound Namemethyl(triphenyl)boranuide;tetraoctylazanium
PubChem CID22102131
Molecular FormulaC51H86BN
Molecular Weight724.07 g/mol
Exact Mass723.69
IUPAC Namemethyl(triphenyl)boranuide;tetraoctylazanium
SMILESCCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.C[B-](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H68N.C19H18B/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h5-32H2,1-4H3;2-16H,1H3/q+1;-1
InChIKeyRYRDGYGPMKWCGB-UHFFFAOYSA-N
XLogP14.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds31
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.07
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze methyl(triphenyl)boranuide;tetraoctylazanium with MolForge

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

Launch Full Analysis

Related Compounds

benzyl(triphenyl)boranuide;tetraoctylazanium
CID 139835064
tribenzyl(heptadecyl)azanium
CID 87810637
benzyl-tri(tetradecyl)azanium
CID 90292155
dibenzyl(dioctyl)azanium
CID 87777407
benzyl(triheptyl)azanium bromide
CID 88807131
dibenzyl(dihexyl)azanium bromide
CID 87778689
tribenzyl(tetradecyl)azanium bromide
CID 87777599
benzyl-butyl-didodecylazanium
CID 156729719
tribenzyl(decyl)azanium iodide
CID 87778750
tribenzyl(heptyl)azanium iodide
CID 87777653
trihexyl(3-phenylpropyl)azanium hydroxide
CID 175394701
benzyl-heptadecyl-dipropylazanium
CID 160895154

Frequently Asked Questions

What is the IUPAC name of methyl(triphenyl)boranuide;tetraoctylazanium?
The IUPAC name of methyl(triphenyl)boranuide;tetraoctylazanium (CID 22102131) is methyl(triphenyl)boranuide;tetraoctylazanium.
What is the SMILES notation for methyl(triphenyl)boranuide;tetraoctylazanium?
The canonical SMILES for methyl(triphenyl)boranuide;tetraoctylazanium is CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.C[B-](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl(triphenyl)boranuide;tetraoctylazanium?
The InChIKey is RYRDGYGPMKWCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H68N.C19H18B/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h5-32H2,1-4H3;2-16H,1H3/q+1;-1.
What are the key properties of methyl(triphenyl)boranuide;tetraoctylazanium?
methyl(triphenyl)boranuide;tetraoctylazanium has a molecular weight of 724.07 g/mol, XLogP of 14.03, 31 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(triphenyl)boranuide;tetraoctylazanium is sourced from PubChem (CID 22102131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).