CID 174249879

C18H16BCuP+2 — CID 174249879

IUPAC—
SMILES[B][P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cu].[H+]
InChIInChI=1S/C18H15BP.Cu/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;/q+1;/p+1
InChIKeyBBBQOAWKXUKFFL-UHFFFAOYSA-O
MW337.66 g/mol
LogP3.17
Rot. Bonds3

About CID 174249879

CID 174249879 (PubChem CID 174249879) has the molecular formula C18H16BCuP+2 and a molecular weight of 337.66 g/mol.

Molecular Properties

Compound NameCID 174249879
PubChem CID174249879
Molecular FormulaC18H16BCuP+2
Molecular Weight337.66 g/mol
Exact Mass337.04
IUPAC Name—
SMILES[B][P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cu].[H+]
InChIInChI=1S/C18H15BP.Cu/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;/q+1;/p+1
InChIKeyBBBQOAWKXUKFFL-UHFFFAOYSA-O
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.66
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 174249879 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 174249879?
The IUPAC name of CID 174249879 (CID 174249879) is not available.
What is the SMILES notation for CID 174249879?
The canonical SMILES for CID 174249879 is [B][P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cu].[H+].
What is the InChIKey of CID 174249879?
The InChIKey is BBBQOAWKXUKFFL-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15BP.Cu/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;/q+1;/p+1.
What are the key properties of CID 174249879?
CID 174249879 has a molecular weight of 337.66 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174249879 is sourced from PubChem (CID 174249879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).