CID 154704206

C22H16Cu2F6N4Se2 — CID 154704206

IUPAC—
SMILESFC(F)(F)[Se].FC(F)(F)[Se].[Cu].[Cu].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2CF3Se.2Cu/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;;/h2*1-8H;;;;
InChIKeyQNVAPBYQNSWTDJ-UHFFFAOYSA-N
MW735.40 g/mol
LogP5.63
Rot. Bonds2

About CID 154704206

CID 154704206 (PubChem CID 154704206) has the molecular formula C22H16Cu2F6N4Se2 and a molecular weight of 735.40 g/mol.

Molecular Properties

Compound NameCID 154704206
PubChem CID154704206
Molecular FormulaC22H16Cu2F6N4Se2
Molecular Weight735.40 g/mol
Exact Mass735.82
IUPAC Name—
SMILESFC(F)(F)[Se].FC(F)(F)[Se].[Cu].[Cu].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2CF3Se.2Cu/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;;/h2*1-8H;;;;
InChIKeyQNVAPBYQNSWTDJ-UHFFFAOYSA-N
XLogP5.63
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.40
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 154704206?
The IUPAC name of CID 154704206 (CID 154704206) is not available.
What is the SMILES notation for CID 154704206?
The canonical SMILES for CID 154704206 is FC(F)(F)[Se].FC(F)(F)[Se].[Cu].[Cu].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of CID 154704206?
The InChIKey is QNVAPBYQNSWTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N2.2CF3Se.2Cu/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;;/h2*1-8H;;;;.
What are the key properties of CID 154704206?
CID 154704206 has a molecular weight of 735.40 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154704206 is sourced from PubChem (CID 154704206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).