tetrakis(4-methylphenyl)boranuide;triethylazanium

C34H44BN — CID 21469884

IUPACtetrakis(4-methylphenyl)boranuide;triethylazanium
SMILESCC[NH+](CC)CC.Cc1ccc([B-](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H28B.C6H15N/c1-21-5-13-25(14-6-21)29(26-15-7-22(2)8-16-26,27-17-9-23(3)10-18-27)28-19-11-24(4)12-20-28;1-4-7(5-2)6-3/h5-20H,1-4H3;4-6H2,1-3H3/q-1;/p+1
InChIKeyNRBVBHNQVXXLCR-UHFFFAOYSA-O
MW477.55 g/mol
LogP4.23
Rot. Bonds7

About tetrakis(4-methylphenyl)boranuide;triethylazanium

tetrakis(4-methylphenyl)boranuide;triethylazanium (PubChem CID 21469884) has the molecular formula C34H44BN and a molecular weight of 477.55 g/mol. Its IUPAC name is tetrakis(4-methylphenyl)boranuide;triethylazanium.

Molecular Properties

Compound Nametetrakis(4-methylphenyl)boranuide;triethylazanium
PubChem CID21469884
Molecular FormulaC34H44BN
Molecular Weight477.55 g/mol
Exact Mass477.36
IUPAC Nametetrakis(4-methylphenyl)boranuide;triethylazanium
SMILESCC[NH+](CC)CC.Cc1ccc([B-](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H28B.C6H15N/c1-21-5-13-25(14-6-21)29(26-15-7-22(2)8-16-26,27-17-9-23(3)10-18-27)28-19-11-24(4)12-20-28;1-4-7(5-2)6-3/h5-20H,1-4H3;4-6H2,1-3H3/q-1;/p+1
InChIKeyNRBVBHNQVXXLCR-UHFFFAOYSA-O
XLogP4.23
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylmethanamine;hydron;tetrakis(4-methylphenyl)boranuide
CID 175771685
methane;propane;1,4-xylene
CID 160778309
methane;propane;1,4-xylene
CID 143560264
methyl-tris(4-methylphenyl)boranuide
CID 11027958
molecular hydrogen;propane;1,4-xylene
CID 170763925
butyl-tris(4-methylphenyl)boranuide
CID 18400281
triethylazanium;1,2,5-trimethylpyrrole
CID 90891861
(2-hydroxyphenyl)-tris(4-methylphenyl)boranuide
CID 87221940
tetrakis(4-methylphenyl)phosphanium;tetraphenylboranuide
CID 87662093
diethyl-[(2Z,4Z,7Z)-9-(4-methylphenyl)nona-2,4,7-trienyl]azanium
CID 101206039
tetrakis(4-ethoxyphenyl)boranuide
CID 11071374
ethanol;methanol;1,4-xylene
CID 70196397

Frequently Asked Questions

What is the IUPAC name of tetrakis(4-methylphenyl)boranuide;triethylazanium?
The IUPAC name of tetrakis(4-methylphenyl)boranuide;triethylazanium (CID 21469884) is tetrakis(4-methylphenyl)boranuide;triethylazanium.
What is the SMILES notation for tetrakis(4-methylphenyl)boranuide;triethylazanium?
The canonical SMILES for tetrakis(4-methylphenyl)boranuide;triethylazanium is CC[NH+](CC)CC.Cc1ccc([B-](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of tetrakis(4-methylphenyl)boranuide;triethylazanium?
The InChIKey is NRBVBHNQVXXLCR-UHFFFAOYSA-O. The full InChI is InChI=1S/C28H28B.C6H15N/c1-21-5-13-25(14-6-21)29(26-15-7-22(2)8-16-26,27-17-9-23(3)10-18-27)28-19-11-24(4)12-20-28;1-4-7(5-2)6-3/h5-20H,1-4H3;4-6H2,1-3H3/q-1;/p+1.
What are the key properties of tetrakis(4-methylphenyl)boranuide;triethylazanium?
tetrakis(4-methylphenyl)boranuide;triethylazanium has a molecular weight of 477.55 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-methylphenyl)boranuide;triethylazanium is sourced from PubChem (CID 21469884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).