cyclohexyl(triphenyl)boranuide;tetraethylazanium

C32H46BN — CID 139835066

IUPACcyclohexyl(triphenyl)boranuide;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.c1ccc([B-](c2ccccc2)(c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C24H26B.C8H20N/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;1-5-9(6-2,7-3)8-4/h1-3,5-10,13-18,24H,4,11-12,19-20H2;5-8H2,1-4H3/q-1;+1
InChIKeyNGOPNRJNBJKWCO-UHFFFAOYSA-N
MW455.54 g/mol
LogP6.37
Rot. Bonds8

About cyclohexyl(triphenyl)boranuide;tetraethylazanium

cyclohexyl(triphenyl)boranuide;tetraethylazanium (PubChem CID 139835066) has the molecular formula C32H46BN and a molecular weight of 455.54 g/mol. Its IUPAC name is cyclohexyl(triphenyl)boranuide;tetraethylazanium.

Molecular Properties

Compound Namecyclohexyl(triphenyl)boranuide;tetraethylazanium
PubChem CID139835066
Molecular FormulaC32H46BN
Molecular Weight455.54 g/mol
Exact Mass455.37
IUPAC Namecyclohexyl(triphenyl)boranuide;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.c1ccc([B-](c2ccccc2)(c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C24H26B.C8H20N/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;1-5-9(6-2,7-3)8-4/h1-3,5-10,13-18,24H,4,11-12,19-20H2;5-8H2,1-4H3/q-1;+1
InChIKeyNGOPNRJNBJKWCO-UHFFFAOYSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.54
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(triphenyl)boranuide;tetraethylazanium?
The IUPAC name of cyclohexyl(triphenyl)boranuide;tetraethylazanium (CID 139835066) is cyclohexyl(triphenyl)boranuide;tetraethylazanium.
What is the SMILES notation for cyclohexyl(triphenyl)boranuide;tetraethylazanium?
The canonical SMILES for cyclohexyl(triphenyl)boranuide;tetraethylazanium is CC[N+](CC)(CC)CC.c1ccc([B-](c2ccccc2)(c2ccccc2)C2CCCCC2)cc1.
What is the InChIKey of cyclohexyl(triphenyl)boranuide;tetraethylazanium?
The InChIKey is NGOPNRJNBJKWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26B.C8H20N/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;1-5-9(6-2,7-3)8-4/h1-3,5-10,13-18,24H,4,11-12,19-20H2;5-8H2,1-4H3/q-1;+1.
What are the key properties of cyclohexyl(triphenyl)boranuide;tetraethylazanium?
cyclohexyl(triphenyl)boranuide;tetraethylazanium has a molecular weight of 455.54 g/mol, XLogP of 6.37, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(triphenyl)boranuide;tetraethylazanium is sourced from PubChem (CID 139835066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).