[4-(4-phenyltriazol-1-yl)phenyl]borane

C14H12BN3 — CID 143877764

IUPAC[4-(4-phenyltriazol-1-yl)phenyl]borane
SMILESBc1ccc(-n2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C14H12BN3/c15-12-6-8-13(9-7-12)18-10-14(16-17-18)11-4-2-1-3-5-11/h1-10H,15H2
InChIKeyIMPOLPAPMLFLRB-UHFFFAOYSA-N
MW233.08 g/mol
LogP1.19
Rot. Bonds2

About [4-(4-phenyltriazol-1-yl)phenyl]borane

[4-(4-phenyltriazol-1-yl)phenyl]borane (PubChem CID 143877764) has the molecular formula C14H12BN3 and a molecular weight of 233.08 g/mol. Its IUPAC name is [4-(4-phenyltriazol-1-yl)phenyl]borane.

Molecular Properties

Compound Name[4-(4-phenyltriazol-1-yl)phenyl]borane
PubChem CID143877764
Molecular FormulaC14H12BN3
Molecular Weight233.08 g/mol
Exact Mass233.11
IUPAC Name[4-(4-phenyltriazol-1-yl)phenyl]borane
SMILESBc1ccc(-n2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C14H12BN3/c15-12-6-8-13(9-7-12)18-10-14(16-17-18)11-4-2-1-3-5-11/h1-10H,15H2
InChIKeyIMPOLPAPMLFLRB-UHFFFAOYSA-N
XLogP1.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 51.19
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-phenyl-4-(4-phenylphenyl)triazole
CID 140714352
pentafluoro-[4-(4-phenyltriazol-1-yl)phenyl]-λ6-sulfane
CID 102367699
[4-(4-phenyltriazol-1-yl)phenyl]methanediol
CID 140682391
4-phenyl-1-[4-[3,5,7-tris[4-(4-phenyltriazol-1-yl)phenyl]-1-adamantyl]phenyl]triazole
CID 44521623
4-[4-(4-phenyltriazol-1-yl)phenyl]benzonitrile
CID 102418496
4-(4-bromophenyl)-1-phenyltriazole
CID 58349860
carbon dioxide;4-phenyl-1-(4-propan-2-ylphenyl)triazole
CID 157181337
4-[4-(4-phenyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 162662895
10-[4-(1-phenyltriazol-4-yl)phenyl]phenoxazine
CID 118281982
3-[1-(4-phenylphenyl)triazol-4-yl]benzoic acid
CID 156834067
ethane;4-(1-phenyltriazol-4-yl)benzaldehyde
CID 91438948
5,10,15-triphenyl-20-[4-(4-phenyltriazol-1-yl)phenyl]-21,23-dihydroporphyrin
CID 136776816

Frequently Asked Questions

What is the IUPAC name of [4-(4-phenyltriazol-1-yl)phenyl]borane?
The IUPAC name of [4-(4-phenyltriazol-1-yl)phenyl]borane (CID 143877764) is [4-(4-phenyltriazol-1-yl)phenyl]borane.
What is the SMILES notation for [4-(4-phenyltriazol-1-yl)phenyl]borane?
The canonical SMILES for [4-(4-phenyltriazol-1-yl)phenyl]borane is Bc1ccc(-n2cc(-c3ccccc3)nn2)cc1.
What is the InChIKey of [4-(4-phenyltriazol-1-yl)phenyl]borane?
The InChIKey is IMPOLPAPMLFLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BN3/c15-12-6-8-13(9-7-12)18-10-14(16-17-18)11-4-2-1-3-5-11/h1-10H,15H2.
What are the key properties of [4-(4-phenyltriazol-1-yl)phenyl]borane?
[4-(4-phenyltriazol-1-yl)phenyl]borane has a molecular weight of 233.08 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenyltriazol-1-yl)phenyl]borane is sourced from PubChem (CID 143877764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).