2,4,6-triethyl-1,3,5-triphenyl-1,3,5,2,4,6-triazatriborinane

C24H30B3N3 — CID 23270398

IUPAC2,4,6-triethyl-1,3,5-triphenyl-1,3,5,2,4,6-triazatriborinane
SMILESCCB1N(c2ccccc2)B(CC)N(c2ccccc2)B(CC)N1c1ccccc1
InChIInChI=1S/C24H30B3N3/c1-4-25-28(22-16-10-7-11-17-22)26(5-2)30(24-20-14-9-15-21-24)27(6-3)29(25)23-18-12-8-13-19-23/h7-21H,4-6H2,1-3H3
InChIKeyUZTNOQVWOLNYQP-UHFFFAOYSA-N
MW392.96 g/mol
LogP6.04
Rot. Bonds6

About 2,4,6-triethyl-1,3,5-triphenyl-1,3,5,2,4,6-triazatriborinane

2,4,6-triethyl-1,3,5-triphenyl-1,3,5,2,4,6-triazatriborinane (PubChem CID 23270398) has the molecular formula C24H30B3N3 and a molecular weight of 392.96 g/mol. Its IUPAC name is 2,4,6-triethyl-1,3,5-triphenyl-1,3,5,2,4,6-triazatriborinane.

Molecular Properties

Compound Name2,4,6-triethyl-1,3,5-triphenyl-1,3,5,2,4,6-triazatriborinane
PubChem CID23270398
Molecular FormulaC24H30B3N3
Molecular Weight392.96 g/mol
Exact Mass393.27
IUPAC Name2,4,6-triethyl-1,3,5-triphenyl-1,3,5,2,4,6-triazatriborinane
SMILESCCB1N(c2ccccc2)B(CC)N(c2ccccc2)B(CC)N1c1ccccc1
InChIInChI=1S/C24H30B3N3/c1-4-25-28(22-16-10-7-11-17-22)26(5-2)30(24-20-14-9-15-21-24)27(6-3)29(25)23-18-12-8-13-19-23/h7-21H,4-6H2,1-3H3
InChIKeyUZTNOQVWOLNYQP-UHFFFAOYSA-N
XLogP6.04
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.96
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,4,6-triethyl-1,3,5-triphenyl-1,3,5,2,4,6-triazatriborinane?
The IUPAC name of 2,4,6-triethyl-1,3,5-triphenyl-1,3,5,2,4,6-triazatriborinane (CID 23270398) is 2,4,6-triethyl-1,3,5-triphenyl-1,3,5,2,4,6-triazatriborinane.
What is the SMILES notation for 2,4,6-triethyl-1,3,5-triphenyl-1,3,5,2,4,6-triazatriborinane?
The canonical SMILES for 2,4,6-triethyl-1,3,5-triphenyl-1,3,5,2,4,6-triazatriborinane is CCB1N(c2ccccc2)B(CC)N(c2ccccc2)B(CC)N1c1ccccc1.
What is the InChIKey of 2,4,6-triethyl-1,3,5-triphenyl-1,3,5,2,4,6-triazatriborinane?
The InChIKey is UZTNOQVWOLNYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30B3N3/c1-4-25-28(22-16-10-7-11-17-22)26(5-2)30(24-20-14-9-15-21-24)27(6-3)29(25)23-18-12-8-13-19-23/h7-21H,4-6H2,1-3H3.
What are the key properties of 2,4,6-triethyl-1,3,5-triphenyl-1,3,5,2,4,6-triazatriborinane?
2,4,6-triethyl-1,3,5-triphenyl-1,3,5,2,4,6-triazatriborinane has a molecular weight of 392.96 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triethyl-1,3,5-triphenyl-1,3,5,2,4,6-triazatriborinane is sourced from PubChem (CID 23270398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).