tris(2H-indazol-3-yl)borane

C21H15BN6 — CID 66908326

IUPACtris(2H-indazol-3-yl)borane
SMILESc1ccc2c(B(c3[nH]nc4ccccc34)c3[nH]nc4ccccc34)[nH]nc2c1
InChIInChI=1S/C21H15BN6/c1-4-10-16-13(7-1)19(26-23-16)22(20-14-8-2-5-11-17(14)24-27-20)21-15-9-3-6-12-18(15)25-28-21/h1-12H,(H,23,26)(H,24,27)(H,25,28)
InChIKeyCGFRRICUYVWLDU-UHFFFAOYSA-N
MW362.21 g/mol
LogP1.83
Rot. Bonds3

About tris(2H-indazol-3-yl)borane

tris(2H-indazol-3-yl)borane (PubChem CID 66908326) has the molecular formula C21H15BN6 and a molecular weight of 362.21 g/mol. Its IUPAC name is tris(2H-indazol-3-yl)borane.

Molecular Properties

Compound Nametris(2H-indazol-3-yl)borane
PubChem CID66908326
Molecular FormulaC21H15BN6
Molecular Weight362.21 g/mol
Exact Mass362.15
IUPAC Nametris(2H-indazol-3-yl)borane
SMILESc1ccc2c(B(c3[nH]nc4ccccc34)c3[nH]nc4ccccc34)[nH]nc2c1
InChIInChI=1S/C21H15BN6/c1-4-10-16-13(7-1)19(26-23-16)22(20-14-8-2-5-11-17(14)24-27-20)21-15-9-3-6-12-18(15)25-28-21/h1-12H,(H,23,26)(H,24,27)(H,25,28)
InChIKeyCGFRRICUYVWLDU-UHFFFAOYSA-N
XLogP1.83
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tris(2H-indazol-3-yl)borane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tris(2H-indazol-3-yl)borane?
The IUPAC name of tris(2H-indazol-3-yl)borane (CID 66908326) is tris(2H-indazol-3-yl)borane.
What is the SMILES notation for tris(2H-indazol-3-yl)borane?
The canonical SMILES for tris(2H-indazol-3-yl)borane is c1ccc2c(B(c3[nH]nc4ccccc34)c3[nH]nc4ccccc34)[nH]nc2c1.
What is the InChIKey of tris(2H-indazol-3-yl)borane?
The InChIKey is CGFRRICUYVWLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BN6/c1-4-10-16-13(7-1)19(26-23-16)22(20-14-8-2-5-11-17(14)24-27-20)21-15-9-3-6-12-18(15)25-28-21/h1-12H,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of tris(2H-indazol-3-yl)borane?
tris(2H-indazol-3-yl)borane has a molecular weight of 362.21 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2H-indazol-3-yl)borane is sourced from PubChem (CID 66908326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).