tert-butyl-tris(4-methoxyphenyl)boranuide;tetramethylazanium

C29H42BNO3 — CID 18982501

IUPACtert-butyl-tris(4-methoxyphenyl)boranuide;tetramethylazanium
SMILESCOc1ccc([B-](c2ccc(OC)cc2)(c2ccc(OC)cc2)C(C)(C)C)cc1.C[N+](C)(C)C
InChIInChI=1S/C25H30BO3.C4H12N/c1-25(2,3)26(19-7-13-22(27-4)14-8-19,20-9-15-23(28-5)16-10-20)21-11-17-24(29-6)18-12-21;1-5(2,3)4/h7-18H,1-6H3;1-4H3/q-1;+1
InChIKeyMEXBCTJIFBHHQS-UHFFFAOYSA-N
MW463.47 g/mol
LogP4.31
Rot. Bonds6

About tert-butyl-tris(4-methoxyphenyl)boranuide;tetramethylazanium

tert-butyl-tris(4-methoxyphenyl)boranuide;tetramethylazanium (PubChem CID 18982501) has the molecular formula C29H42BNO3 and a molecular weight of 463.47 g/mol. Its IUPAC name is tert-butyl-tris(4-methoxyphenyl)boranuide;tetramethylazanium.

Molecular Properties

Compound Nametert-butyl-tris(4-methoxyphenyl)boranuide;tetramethylazanium
PubChem CID18982501
Molecular FormulaC29H42BNO3
Molecular Weight463.47 g/mol
Exact Mass463.33
IUPAC Nametert-butyl-tris(4-methoxyphenyl)boranuide;tetramethylazanium
SMILESCOc1ccc([B-](c2ccc(OC)cc2)(c2ccc(OC)cc2)C(C)(C)C)cc1.C[N+](C)(C)C
InChIInChI=1S/C25H30BO3.C4H12N/c1-25(2,3)26(19-7-13-22(27-4)14-8-19,20-9-15-23(28-5)16-10-20)21-11-17-24(29-6)18-12-21;1-5(2,3)4/h7-18H,1-6H3;1-4H3/q-1;+1
InChIKeyMEXBCTJIFBHHQS-UHFFFAOYSA-N
XLogP4.31
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.47
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-tris(4-methoxyphenyl)boranuide;tetramethylazanium 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

(4-methoxyphenyl)-triphenylboranuide;tetramethylazanium
CID 11452981
tert-butyl-tris(4-chlorophenyl)boranuide
CID 18982247
trifluoro-[4-(4-methoxyphenyl)phenyl]boranuide
CID 75176015
lithium butyl-tris(4-methoxyphenyl)boranuide
CID 139652579
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
CID 102373172
CID 102373172
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680
tris(4-methoxyphenyl)-octylboranuide
CID 18400265
tetrabutylazanium;tris(4-methoxyphenyl)-pentylboranuide
CID 23284024
1-(113C)methoxy-4-methylbenzene
CID 166176950
bis[2-(4-methoxyphenyl)propan-2-yl]diazene
CID 101224810
2-methoxy-6-[(2-methylpropan-2-yl)oxy]naphthalene
CID 155296690

Frequently Asked Questions

What is the IUPAC name of tert-butyl-tris(4-methoxyphenyl)boranuide;tetramethylazanium?
The IUPAC name of tert-butyl-tris(4-methoxyphenyl)boranuide;tetramethylazanium (CID 18982501) is tert-butyl-tris(4-methoxyphenyl)boranuide;tetramethylazanium.
What is the SMILES notation for tert-butyl-tris(4-methoxyphenyl)boranuide;tetramethylazanium?
The canonical SMILES for tert-butyl-tris(4-methoxyphenyl)boranuide;tetramethylazanium is COc1ccc([B-](c2ccc(OC)cc2)(c2ccc(OC)cc2)C(C)(C)C)cc1.C[N+](C)(C)C.
What is the InChIKey of tert-butyl-tris(4-methoxyphenyl)boranuide;tetramethylazanium?
The InChIKey is MEXBCTJIFBHHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30BO3.C4H12N/c1-25(2,3)26(19-7-13-22(27-4)14-8-19,20-9-15-23(28-5)16-10-20)21-11-17-24(29-6)18-12-21;1-5(2,3)4/h7-18H,1-6H3;1-4H3/q-1;+1.
What are the key properties of tert-butyl-tris(4-methoxyphenyl)boranuide;tetramethylazanium?
tert-butyl-tris(4-methoxyphenyl)boranuide;tetramethylazanium has a molecular weight of 463.47 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-tris(4-methoxyphenyl)boranuide;tetramethylazanium is sourced from PubChem (CID 18982501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).