CID 174141767

C26H18BN3 — CID 174141767

IUPAC—
SMILES[B]c1ccccc1-n1c2c(-c3ccccc3C)cccc2n2c3ccccc3nc12
InChIInChI=1S/C26H18BN3/c1-17-9-2-3-10-18(17)19-11-8-16-24-25(19)30(22-14-6-4-12-20(22)27)26-28-21-13-5-7-15-23(21)29(24)26/h2-16H,1H3
InChIKeyUEQAZEVMXHZAEO-UHFFFAOYSA-N
MW383.26 g/mol
LogP5.20
Rot. Bonds2

About CID 174141767

CID 174141767 (PubChem CID 174141767) has the molecular formula C26H18BN3 and a molecular weight of 383.26 g/mol.

Molecular Properties

Compound NameCID 174141767
PubChem CID174141767
Molecular FormulaC26H18BN3
Molecular Weight383.26 g/mol
Exact Mass383.16
IUPAC Name—
SMILES[B]c1ccccc1-n1c2c(-c3ccccc3C)cccc2n2c3ccccc3nc12
InChIInChI=1S/C26H18BN3/c1-17-9-2-3-10-18(17)19-11-8-16-24-25(19)30(22-14-6-4-12-20(22)27)26-28-21-13-5-7-15-23(21)29(24)26/h2-16H,1H3
InChIKeyUEQAZEVMXHZAEO-UHFFFAOYSA-N
XLogP5.20
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.26
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 174141767 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 CID 174141767?
The IUPAC name of CID 174141767 (CID 174141767) is not available.
What is the SMILES notation for CID 174141767?
The canonical SMILES for CID 174141767 is [B]c1ccccc1-n1c2c(-c3ccccc3C)cccc2n2c3ccccc3nc12.
What is the InChIKey of CID 174141767?
The InChIKey is UEQAZEVMXHZAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18BN3/c1-17-9-2-3-10-18(17)19-11-8-16-24-25(19)30(22-14-6-4-12-20(22)27)26-28-21-13-5-7-15-23(21)29(24)26/h2-16H,1H3.
What are the key properties of CID 174141767?
CID 174141767 has a molecular weight of 383.26 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174141767 is sourced from PubChem (CID 174141767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).