tetraphenylboranuide;triethylazanium

C30H36BN — CID 11080326

IUPACtetraphenylboranuide;triethylazanium
SMILESCC[NH+](CC)CC.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C6H15N/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;1-4-7(5-2)6-3/h1-20H;4-6H2,1-3H3/q-1;/p+1
InChIKeyXQSMJIJEESBUTH-UHFFFAOYSA-O
MW421.44 g/mol
LogP2.99
Rot. Bonds7

About tetraphenylboranuide;triethylazanium

tetraphenylboranuide;triethylazanium (PubChem CID 11080326) has the molecular formula C30H36BN and a molecular weight of 421.44 g/mol. Its IUPAC name is tetraphenylboranuide;triethylazanium.

Molecular Properties

Compound Nametetraphenylboranuide;triethylazanium
PubChem CID11080326
Molecular FormulaC30H36BN
Molecular Weight421.44 g/mol
Exact Mass421.29
IUPAC Nametetraphenylboranuide;triethylazanium
SMILESCC[NH+](CC)CC.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.C6H15N/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;1-4-7(5-2)6-3/h1-20H;4-6H2,1-3H3/q-1;/p+1
InChIKeyXQSMJIJEESBUTH-UHFFFAOYSA-O
XLogP2.99
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetraphenylboranuide;triethylazanium?
The IUPAC name of tetraphenylboranuide;triethylazanium (CID 11080326) is tetraphenylboranuide;triethylazanium.
What is the SMILES notation for tetraphenylboranuide;triethylazanium?
The canonical SMILES for tetraphenylboranuide;triethylazanium is CC[NH+](CC)CC.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tetraphenylboranuide;triethylazanium?
The InChIKey is XQSMJIJEESBUTH-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H20B.C6H15N/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;1-4-7(5-2)6-3/h1-20H;4-6H2,1-3H3/q-1;/p+1.
What are the key properties of tetraphenylboranuide;triethylazanium?
tetraphenylboranuide;triethylazanium has a molecular weight of 421.44 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetraphenylboranuide;triethylazanium is sourced from PubChem (CID 11080326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).