[6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium

C18H21N2Se+ — CID 11504090

IUPAC[6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium
SMILESCc1c2ccc(=[N+](C)C)cc-2[se]c2cc(N(C)C)ccc12
InChIInChI=1S/C18H21N2Se/c1-12-15-8-6-13(19(2)3)10-17(15)21-18-11-14(20(4)5)7-9-16(12)18/h6-11H,1-5H3/q+1
InChIKeyVVQUZPXXBFNGAR-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.41
Rot. Bonds1

About [6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium

[6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium (PubChem CID 11504090) has the molecular formula C18H21N2Se+ and a molecular weight of 344.34 g/mol. Its IUPAC name is [6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium.

Molecular Properties

Compound Name[6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium
PubChem CID11504090
Molecular FormulaC18H21N2Se+
Molecular Weight344.34 g/mol
Exact Mass345.09
IUPAC Name[6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium
SMILESCc1c2ccc(=[N+](C)C)cc-2[se]c2cc(N(C)C)ccc12
InChIInChI=1S/C18H21N2Se/c1-12-15-8-6-13(19(2)3)10-17(15)21-18-11-14(20(4)5)7-9-16(12)18/h6-11H,1-5H3/q+1
InChIKeyVVQUZPXXBFNGAR-UHFFFAOYSA-N
XLogP2.41
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium?
The IUPAC name of [6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium (CID 11504090) is [6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium.
What is the SMILES notation for [6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium?
The canonical SMILES for [6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium is Cc1c2ccc(=[N+](C)C)cc-2[se]c2cc(N(C)C)ccc12.
What is the InChIKey of [6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium?
The InChIKey is VVQUZPXXBFNGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N2Se/c1-12-15-8-6-13(19(2)3)10-17(15)21-18-11-14(20(4)5)7-9-16(12)18/h6-11H,1-5H3/q+1.
What are the key properties of [6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium?
[6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium has a molecular weight of 344.34 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)-9-methylselenoxanthen-3-ylidene]-dimethylazanium is sourced from PubChem (CID 11504090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).