5-(3,5-diphenylphenyl)-[1]benzoborolo[3,2-b]pyridine

C29H20BN — CID 59459803

IUPAC5-(3,5-diphenylphenyl)-[1]benzoborolo[3,2-b]pyridine
SMILESc1ccc(-c2cc(B3c4ccccc4-c4ncccc43)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C29H20BN/c1-3-10-21(11-4-1)23-18-24(22-12-5-2-6-13-22)20-25(19-23)30-27-15-8-7-14-26(27)29-28(30)16-9-17-31-29/h1-20H
InChIKeyYNSJCHRWBOGVHC-UHFFFAOYSA-N
MW393.30 g/mol
LogP4.91
Rot. Bonds3

About 5-(3,5-diphenylphenyl)-[1]benzoborolo[3,2-b]pyridine

5-(3,5-diphenylphenyl)-[1]benzoborolo[3,2-b]pyridine (PubChem CID 59459803) has the molecular formula C29H20BN and a molecular weight of 393.30 g/mol. Its IUPAC name is 5-(3,5-diphenylphenyl)-[1]benzoborolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-(3,5-diphenylphenyl)-[1]benzoborolo[3,2-b]pyridine
PubChem CID59459803
Molecular FormulaC29H20BN
Molecular Weight393.30 g/mol
Exact Mass393.17
IUPAC Name5-(3,5-diphenylphenyl)-[1]benzoborolo[3,2-b]pyridine
SMILESc1ccc(-c2cc(B3c4ccccc4-c4ncccc43)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C29H20BN/c1-3-10-21(11-4-1)23-18-24(22-12-5-2-6-13-22)20-25(19-23)30-27-15-8-7-14-26(27)29-28(30)16-9-17-31-29/h1-20H
InChIKeyYNSJCHRWBOGVHC-UHFFFAOYSA-N
XLogP4.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.30
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-naphthalen-1-yl-5-(2-phenylphenyl)-[1]benzoborolo[3,2-b]pyridine
CID 59661661
2-(4-phenylphenyl)-4-[3-phenyl-5-(2-phenyl-3-pyridinyl)phenyl]-1,3,5-triazine
CID 175213647
2-phenyl-3-[2-[2-(2-phenyl-3-pyridinyl)phenyl]phenyl]pyridine
CID 58947757
5-phenylbenzo[b][1]benzoborole
CID 11424968
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
2-(2-phenyl-3-pyridinyl)pyrimidine
CID 58421043
2-(3-phenyl-2-pyridinyl)pyrimidine
CID 67877581
1,1'-biphenyl;2,3-dipyridin-2-ylpyridine
CID 67006222
3-phenyl-2-pyridin-3-ylpyridine
CID 140510629
3-phenyl-2-(3,4,5-trifluorophenyl)pyridine
CID 168821667
3-(3,5-diphenylphenyl)pyridine
CID 141411458
1,3,5-triphenylbenzene
CID 158331433

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-diphenylphenyl)-[1]benzoborolo[3,2-b]pyridine?
The IUPAC name of 5-(3,5-diphenylphenyl)-[1]benzoborolo[3,2-b]pyridine (CID 59459803) is 5-(3,5-diphenylphenyl)-[1]benzoborolo[3,2-b]pyridine.
What is the SMILES notation for 5-(3,5-diphenylphenyl)-[1]benzoborolo[3,2-b]pyridine?
The canonical SMILES for 5-(3,5-diphenylphenyl)-[1]benzoborolo[3,2-b]pyridine is c1ccc(-c2cc(B3c4ccccc4-c4ncccc43)cc(-c3ccccc3)c2)cc1.
What is the InChIKey of 5-(3,5-diphenylphenyl)-[1]benzoborolo[3,2-b]pyridine?
The InChIKey is YNSJCHRWBOGVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20BN/c1-3-10-21(11-4-1)23-18-24(22-12-5-2-6-13-22)20-25(19-23)30-27-15-8-7-14-26(27)29-28(30)16-9-17-31-29/h1-20H.
What are the key properties of 5-(3,5-diphenylphenyl)-[1]benzoborolo[3,2-b]pyridine?
5-(3,5-diphenylphenyl)-[1]benzoborolo[3,2-b]pyridine has a molecular weight of 393.30 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-diphenylphenyl)-[1]benzoborolo[3,2-b]pyridine is sourced from PubChem (CID 59459803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).