5-phenyl-6-pyridin-2-ylpyrido[3,2-c][2,1]benzazaborinine

C22H16BN3 — CID 140842863

IUPAC5-phenyl-6-pyridin-2-ylpyrido[3,2-c][2,1]benzazaborinine
SMILESc1ccc(N2B(c3ccccn3)c3ccccc3-c3ncccc32)cc1
InChIInChI=1S/C22H16BN3/c1-2-9-17(10-3-1)26-20-13-8-16-25-22(20)18-11-4-5-12-19(18)23(26)21-14-6-7-15-24-21/h1-16H
InChIKeyOGAVMSQMNUTNQR-UHFFFAOYSA-N
MW333.20 g/mol
LogP3.40
Rot. Bonds2

About 5-phenyl-6-pyridin-2-ylpyrido[3,2-c][2,1]benzazaborinine

5-phenyl-6-pyridin-2-ylpyrido[3,2-c][2,1]benzazaborinine (PubChem CID 140842863) has the molecular formula C22H16BN3 and a molecular weight of 333.20 g/mol. Its IUPAC name is 5-phenyl-6-pyridin-2-ylpyrido[3,2-c][2,1]benzazaborinine.

Molecular Properties

Compound Name5-phenyl-6-pyridin-2-ylpyrido[3,2-c][2,1]benzazaborinine
PubChem CID140842863
Molecular FormulaC22H16BN3
Molecular Weight333.20 g/mol
Exact Mass333.14
IUPAC Name5-phenyl-6-pyridin-2-ylpyrido[3,2-c][2,1]benzazaborinine
SMILESc1ccc(N2B(c3ccccn3)c3ccccc3-c3ncccc32)cc1
InChIInChI=1S/C22H16BN3/c1-2-9-17(10-3-1)26-20-13-8-16-25-22(20)18-11-4-5-12-19(18)23(26)21-14-6-7-15-24-21/h1-16H
InChIKeyOGAVMSQMNUTNQR-UHFFFAOYSA-N
XLogP3.40
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,26-diaza-18-boraheptacyclo[16.12.0.02,11.03,8.012,17.019,24.025,30]triaconta-2(11),3,5,7,9,12,14,16,19,21,23,25(30),26,28-tetradecaene
CID 90070042
14-phenyl-5-oxa-1,8,14-triaza-13-borapentacyclo[11.7.0.02,6.07,12.015,20]icosa-2(6),3,7(12),8,10,15,17,19-octaene
CID 153430655
14-phenyl-3-oxa-1,8,14-triaza-13-borapentacyclo[11.7.0.02,6.07,12.015,20]icosa-2(6),4,7(12),8,10,15,17,19-octaene
CID 153430667
5-phenyl-6-(3-phenylphenyl)benzo[c][1,2]benzazaborinine
CID 140842894
5-[2-(3-benzo[b][1,4]benzothiaborinin-10-yl-2-pyridinyl)phenyl]-10-phenylphenazine
CID 155644709
2-(2,6-diphenylphenyl)-1-phenyl-3-pyridin-2-yl-1,3,2-benzodiazaborole
CID 174077120
2-bromo-1-phenyl-3-pyridin-2-yl-1,3,2-benzodiazaborole
CID 58036535
21-(4-phenyl-2-pyridinyl)-6,14,21-triaza-1-borapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2(7),3,5,8,10,12,15,17,19-nonaene
CID 163476332
3,5,6-triphenylbenzo[c][1,2]benzazaborinine
CID 140842797
20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14,16,18-nonaene
CID 156761677
2-methoxy-5,6-diphenylbenzo[c][1,2]benzazaborinine
CID 148892654
5,6-diphenylnaphtho[2,3-c][1,2]benzazaborinine
CID 140842799

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-6-pyridin-2-ylpyrido[3,2-c][2,1]benzazaborinine?
The IUPAC name of 5-phenyl-6-pyridin-2-ylpyrido[3,2-c][2,1]benzazaborinine (CID 140842863) is 5-phenyl-6-pyridin-2-ylpyrido[3,2-c][2,1]benzazaborinine.
What is the SMILES notation for 5-phenyl-6-pyridin-2-ylpyrido[3,2-c][2,1]benzazaborinine?
The canonical SMILES for 5-phenyl-6-pyridin-2-ylpyrido[3,2-c][2,1]benzazaborinine is c1ccc(N2B(c3ccccn3)c3ccccc3-c3ncccc32)cc1.
What is the InChIKey of 5-phenyl-6-pyridin-2-ylpyrido[3,2-c][2,1]benzazaborinine?
The InChIKey is OGAVMSQMNUTNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BN3/c1-2-9-17(10-3-1)26-20-13-8-16-25-22(20)18-11-4-5-12-19(18)23(26)21-14-6-7-15-24-21/h1-16H.
What are the key properties of 5-phenyl-6-pyridin-2-ylpyrido[3,2-c][2,1]benzazaborinine?
5-phenyl-6-pyridin-2-ylpyrido[3,2-c][2,1]benzazaborinine has a molecular weight of 333.20 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-6-pyridin-2-ylpyrido[3,2-c][2,1]benzazaborinine is sourced from PubChem (CID 140842863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).