5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine

C32H22BN — CID 58511426

IUPAC5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine
SMILESc1ccc2c(c1)B(c1cccc3ccccc13)c1ccccc1N2c1cccc2ccccc12
InChIInChI=1S/C32H22BN/c1-3-15-25-23(11-1)13-9-19-27(25)33-28-17-5-7-20-31(28)34(32-21-8-6-18-29(32)33)30-22-10-14-24-12-2-4-16-26(24)30/h1-22H
InChIKeyASONBWKELXULCA-UHFFFAOYSA-N
MW431.35 g/mol
LogP6.29
Rot. Bonds2

About 5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine

5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine (PubChem CID 58511426) has the molecular formula C32H22BN and a molecular weight of 431.35 g/mol. Its IUPAC name is 5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine.

Molecular Properties

Compound Name5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine
PubChem CID58511426
Molecular FormulaC32H22BN
Molecular Weight431.35 g/mol
Exact Mass431.18
IUPAC Name5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine
SMILESc1ccc2c(c1)B(c1cccc3ccccc13)c1ccccc1N2c1cccc2ccccc12
InChIInChI=1S/C32H22BN/c1-3-15-25-23(11-1)13-9-19-27(25)33-28-17-5-7-20-31(28)34(32-21-8-6-18-29(32)33)30-22-10-14-24-12-2-4-16-26(24)30/h1-22H
InChIKeyASONBWKELXULCA-UHFFFAOYSA-N
XLogP6.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.35
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5,10-dinaphthalen-1-ylbenzo[b][1,4]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 5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine?
The IUPAC name of 5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine (CID 58511426) is 5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine.
What is the SMILES notation for 5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine?
The canonical SMILES for 5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine is c1ccc2c(c1)B(c1cccc3ccccc13)c1ccccc1N2c1cccc2ccccc12.
What is the InChIKey of 5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine?
The InChIKey is ASONBWKELXULCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22BN/c1-3-15-25-23(11-1)13-9-19-27(25)33-28-17-5-7-20-31(28)34(32-21-8-6-18-29(32)33)30-22-10-14-24-12-2-4-16-26(24)30/h1-22H.
What are the key properties of 5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine?
5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine has a molecular weight of 431.35 g/mol, XLogP of 6.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine is sourced from PubChem (CID 58511426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).