CID 6397981

C15H14NSe2+ — CID 6397981

IUPAC—
SMILES[Se]C([Se])=[N+](Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H14NSe2/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2/q+1
InChIKeyQJFRQANZQTYJKQ-UHFFFAOYSA-N
MW366.20 g/mol
LogP2.09
Rot. Bonds4

About CID 6397981

CID 6397981 (PubChem CID 6397981) has the molecular formula C15H14NSe2+ and a molecular weight of 366.20 g/mol.

Molecular Properties

Compound NameCID 6397981
PubChem CID6397981
Molecular FormulaC15H14NSe2+
Molecular Weight366.20 g/mol
Exact Mass367.95
IUPAC Name—
SMILES[Se]C([Se])=[N+](Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H14NSe2/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2/q+1
InChIKeyQJFRQANZQTYJKQ-UHFFFAOYSA-N
XLogP2.09
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 6397981?
The IUPAC name of CID 6397981 (CID 6397981) is not available.
What is the SMILES notation for CID 6397981?
The canonical SMILES for CID 6397981 is [Se]C([Se])=[N+](Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of CID 6397981?
The InChIKey is QJFRQANZQTYJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14NSe2/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2/q+1.
What are the key properties of CID 6397981?
CID 6397981 has a molecular weight of 366.20 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6397981 is sourced from PubChem (CID 6397981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).