4,5,6-trimethylbenzo[b][1]benzoborole

C15H15B — CID 169309234

IUPAC4,5,6-trimethylbenzo[b][1]benzoborole
SMILESCB1c2c(C)cccc2-c2cccc(C)c21
InChIInChI=1S/C15H15B/c1-10-6-4-8-12-13-9-5-7-11(2)15(13)16(3)14(10)12/h4-9H,1-3H3
InChIKeyFGWZOOOJGLNOEV-UHFFFAOYSA-N
MW206.10 g/mol
LogP2.52
Rot. Bonds

About 4,5,6-trimethylbenzo[b][1]benzoborole

4,5,6-trimethylbenzo[b][1]benzoborole (PubChem CID 169309234) has the molecular formula C15H15B and a molecular weight of 206.10 g/mol. Its IUPAC name is 4,5,6-trimethylbenzo[b][1]benzoborole.

Molecular Properties

Compound Name4,5,6-trimethylbenzo[b][1]benzoborole
PubChem CID169309234
Molecular FormulaC15H15B
Molecular Weight206.10 g/mol
Exact Mass206.13
IUPAC Name4,5,6-trimethylbenzo[b][1]benzoborole
SMILESCB1c2c(C)cccc2-c2cccc(C)c21
InChIInChI=1S/C15H15B/c1-10-6-4-8-12-13-9-5-7-11(2)15(13)16(3)14(10)12/h4-9H,1-3H3
InChIKeyFGWZOOOJGLNOEV-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.10
LogP ≤ 52.52
H-Bond Donors ≤ 50
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 4,5,6-trimethylbenzo[b][1]benzoborole?
The IUPAC name of 4,5,6-trimethylbenzo[b][1]benzoborole (CID 169309234) is 4,5,6-trimethylbenzo[b][1]benzoborole.
What is the SMILES notation for 4,5,6-trimethylbenzo[b][1]benzoborole?
The canonical SMILES for 4,5,6-trimethylbenzo[b][1]benzoborole is CB1c2c(C)cccc2-c2cccc(C)c21.
What is the InChIKey of 4,5,6-trimethylbenzo[b][1]benzoborole?
The InChIKey is FGWZOOOJGLNOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15B/c1-10-6-4-8-12-13-9-5-7-11(2)15(13)16(3)14(10)12/h4-9H,1-3H3.
What are the key properties of 4,5,6-trimethylbenzo[b][1]benzoborole?
4,5,6-trimethylbenzo[b][1]benzoborole has a molecular weight of 206.10 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethylbenzo[b][1]benzoborole is sourced from PubChem (CID 169309234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).