[6-(dimethylamino)-9-phenyltelluroxanthen-3-ylidene]-dimethylazanium bromide

C23H23BrN2Te — CID 44565898

IUPAC[6-(dimethylamino)-9-phenyltelluroxanthen-3-ylidene]-dimethylazanium bromide
SMILESCN(C)c1ccc2c(-c3ccccc3)c3ccc(=[N+](C)C)cc-3[te]c2c1.[Br-]
InChIInChI=1S/C23H23N2Te.BrH/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16;/h5-15H,1-4H3;1H/q+1;/p-1
InChIKeyOBCWVKXUZWKYGY-UHFFFAOYSA-M
MW534.96 g/mol
LogP0.77
Rot. Bonds2

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

[6-(dimethylamino)-9-phenyltelluroxanthen-3-ylidene]-dimethylazanium bromide (PubChem CID 44565898) has the molecular formula C23H23BrN2Te and a molecular weight of 534.96 g/mol. Its IUPAC name is [6-(dimethylamino)-9-phenyltelluroxanthen-3-ylidene]-dimethylazanium bromide.

Molecular Properties

Compound Name[6-(dimethylamino)-9-phenyltelluroxanthen-3-ylidene]-dimethylazanium bromide
PubChem CID44565898
Molecular FormulaC23H23BrN2Te
Molecular Weight534.96 g/mol
Exact Mass536.01
IUPAC Name[6-(dimethylamino)-9-phenyltelluroxanthen-3-ylidene]-dimethylazanium bromide
SMILESCN(C)c1ccc2c(-c3ccccc3)c3ccc(=[N+](C)C)cc-3[te]c2c1.[Br-]
InChIInChI=1S/C23H23N2Te.BrH/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16;/h5-15H,1-4H3;1H/q+1;/p-1
InChIKeyOBCWVKXUZWKYGY-UHFFFAOYSA-M
XLogP0.77
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.96
LogP ≤ 50.77
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-phenyltelluroxanthen-3-ylidene]-dimethylazanium bromide?
The IUPAC name of [6-(dimethylamino)-9-phenyltelluroxanthen-3-ylidene]-dimethylazanium bromide (CID 44565898) is [6-(dimethylamino)-9-phenyltelluroxanthen-3-ylidene]-dimethylazanium bromide.
What is the SMILES notation for [6-(dimethylamino)-9-phenyltelluroxanthen-3-ylidene]-dimethylazanium bromide?
The canonical SMILES for [6-(dimethylamino)-9-phenyltelluroxanthen-3-ylidene]-dimethylazanium bromide is CN(C)c1ccc2c(-c3ccccc3)c3ccc(=[N+](C)C)cc-3[te]c2c1.[Br-].
What is the InChIKey of [6-(dimethylamino)-9-phenyltelluroxanthen-3-ylidene]-dimethylazanium bromide?
The InChIKey is OBCWVKXUZWKYGY-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H23N2Te.BrH/c1-24(2)17-10-12-19-21(14-17)26-22-15-18(25(3)4)11-13-20(22)23(19)16-8-6-5-7-9-16;/h5-15H,1-4H3;1H/q+1;/p-1.
What are the key properties of [6-(dimethylamino)-9-phenyltelluroxanthen-3-ylidene]-dimethylazanium bromide?
[6-(dimethylamino)-9-phenyltelluroxanthen-3-ylidene]-dimethylazanium bromide has a molecular weight of 534.96 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)-9-phenyltelluroxanthen-3-ylidene]-dimethylazanium bromide is sourced from PubChem (CID 44565898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).