5,6-diphenylbenzo[c][1,2]benzazaborinine

C24H18BN — CID 139188517

IUPAC5,6-diphenylbenzo[c][1,2]benzazaborinine
SMILESc1ccc(B2c3ccccc3-c3ccccc3N2c2ccccc2)cc1
InChIInChI=1S/C24H18BN/c1-3-11-19(12-4-1)25-23-17-9-7-15-21(23)22-16-8-10-18-24(22)26(25)20-13-5-2-6-14-20/h1-18H
InChIKeyRNPGTWZOYVVMRQ-UHFFFAOYSA-N
MW331.23 g/mol
LogP4.61
Rot. Bonds2

About 5,6-diphenylbenzo[c][1,2]benzazaborinine

5,6-diphenylbenzo[c][1,2]benzazaborinine (PubChem CID 139188517) has the molecular formula C24H18BN and a molecular weight of 331.23 g/mol. Its IUPAC name is 5,6-diphenylbenzo[c][1,2]benzazaborinine.

Molecular Properties

Compound Name5,6-diphenylbenzo[c][1,2]benzazaborinine
PubChem CID139188517
Molecular FormulaC24H18BN
Molecular Weight331.23 g/mol
Exact Mass331.15
IUPAC Name5,6-diphenylbenzo[c][1,2]benzazaborinine
SMILESc1ccc(B2c3ccccc3-c3ccccc3N2c2ccccc2)cc1
InChIInChI=1S/C24H18BN/c1-3-11-19(12-4-1)25-23-17-9-7-15-21(23)22-16-8-10-18-24(22)26(25)20-13-5-2-6-14-20/h1-18H
InChIKeyRNPGTWZOYVVMRQ-UHFFFAOYSA-N
XLogP4.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5,6-diphenylbenzo[c][1,2]benzazaborinine 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 5,6-diphenylbenzo[c][1,2]benzazaborinine?
The IUPAC name of 5,6-diphenylbenzo[c][1,2]benzazaborinine (CID 139188517) is 5,6-diphenylbenzo[c][1,2]benzazaborinine.
What is the SMILES notation for 5,6-diphenylbenzo[c][1,2]benzazaborinine?
The canonical SMILES for 5,6-diphenylbenzo[c][1,2]benzazaborinine is c1ccc(B2c3ccccc3-c3ccccc3N2c2ccccc2)cc1.
What is the InChIKey of 5,6-diphenylbenzo[c][1,2]benzazaborinine?
The InChIKey is RNPGTWZOYVVMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BN/c1-3-11-19(12-4-1)25-23-17-9-7-15-21(23)22-16-8-10-18-24(22)26(25)20-13-5-2-6-14-20/h1-18H.
What are the key properties of 5,6-diphenylbenzo[c][1,2]benzazaborinine?
5,6-diphenylbenzo[c][1,2]benzazaborinine has a molecular weight of 331.23 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenylbenzo[c][1,2]benzazaborinine is sourced from PubChem (CID 139188517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).