5-fluoro-2,8-diphenylbenzo[b][1]benzoborole

C24H16BF — CID 123279258

IUPAC5-fluoro-2,8-diphenylbenzo[b][1]benzoborole
SMILESFB1c2ccc(-c3ccccc3)cc2-c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C24H16BF/c26-25-23-13-11-19(17-7-3-1-4-8-17)15-21(23)22-16-20(12-14-24(22)25)18-9-5-2-6-10-18/h1-16H
InChIKeyBWYLMYOSXMSZKP-UHFFFAOYSA-N
MW334.20 g/mol
LogP5.08
Rot. Bonds2

About 5-fluoro-2,8-diphenylbenzo[b][1]benzoborole

5-fluoro-2,8-diphenylbenzo[b][1]benzoborole (PubChem CID 123279258) has the molecular formula C24H16BF and a molecular weight of 334.20 g/mol. Its IUPAC name is 5-fluoro-2,8-diphenylbenzo[b][1]benzoborole.

Molecular Properties

Compound Name5-fluoro-2,8-diphenylbenzo[b][1]benzoborole
PubChem CID123279258
Molecular FormulaC24H16BF
Molecular Weight334.20 g/mol
Exact Mass334.13
IUPAC Name5-fluoro-2,8-diphenylbenzo[b][1]benzoborole
SMILESFB1c2ccc(-c3ccccc3)cc2-c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C24H16BF/c26-25-23-13-11-19(17-7-3-1-4-8-17)15-21(23)22-16-20(12-14-24(22)25)18-9-5-2-6-10-18/h1-16H
InChIKeyBWYLMYOSXMSZKP-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.20
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

8-bromo-5,5-dimethylindeno[1,2-b]pyridine;5-fluoro-2,8-diphenylbenzo[b][1]benzoborole
CID 160505181
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
1,2,4-triphenylbenzene
CID 518325
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
1,2,4-triphenylbenzene;1,3,5-triphenylbenzene
CID 162004033
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
2,5,6,9-tetraphenylbenzo[c][1,2]benzazaborinine
CID 140842889
2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene
CID 174878589

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,8-diphenylbenzo[b][1]benzoborole?
The IUPAC name of 5-fluoro-2,8-diphenylbenzo[b][1]benzoborole (CID 123279258) is 5-fluoro-2,8-diphenylbenzo[b][1]benzoborole.
What is the SMILES notation for 5-fluoro-2,8-diphenylbenzo[b][1]benzoborole?
The canonical SMILES for 5-fluoro-2,8-diphenylbenzo[b][1]benzoborole is FB1c2ccc(-c3ccccc3)cc2-c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 5-fluoro-2,8-diphenylbenzo[b][1]benzoborole?
The InChIKey is BWYLMYOSXMSZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BF/c26-25-23-13-11-19(17-7-3-1-4-8-17)15-21(23)22-16-20(12-14-24(22)25)18-9-5-2-6-10-18/h1-16H.
What are the key properties of 5-fluoro-2,8-diphenylbenzo[b][1]benzoborole?
5-fluoro-2,8-diphenylbenzo[b][1]benzoborole has a molecular weight of 334.20 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,8-diphenylbenzo[b][1]benzoborole is sourced from PubChem (CID 123279258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).