5,10-dimethyl-[1,2,3]benzoselenadiazolo[5,4-e][1,2,3]benzoselenadiazole

C12H8N4Se2 — CID 153490227

IUPAC5,10-dimethyl-[1,2,3]benzoselenadiazolo[5,4-e][1,2,3]benzoselenadiazole
SMILESCc1cc2c(cc(C)c3[se]nnc32)c2nn[se]c12
InChIInChI=1S/C12H8N4Se2/c1-5-3-7-8(9-11(5)17-15-13-9)4-6(2)12-10(7)14-16-18-12/h3-4H,1-2H3
InChIKeyRGEHGAXLHMAIRM-UHFFFAOYSA-N
MW366.14 g/mol
LogP1.46
Rot. Bonds

About 5,10-dimethyl-[1,2,3]benzoselenadiazolo[5,4-e][1,2,3]benzoselenadiazole

5,10-dimethyl-[1,2,3]benzoselenadiazolo[5,4-e][1,2,3]benzoselenadiazole (PubChem CID 153490227) has the molecular formula C12H8N4Se2 and a molecular weight of 366.14 g/mol. Its IUPAC name is 5,10-dimethyl-[1,2,3]benzoselenadiazolo[5,4-e][1,2,3]benzoselenadiazole.

Molecular Properties

Compound Name5,10-dimethyl-[1,2,3]benzoselenadiazolo[5,4-e][1,2,3]benzoselenadiazole
PubChem CID153490227
Molecular FormulaC12H8N4Se2
Molecular Weight366.14 g/mol
Exact Mass367.91
IUPAC Name5,10-dimethyl-[1,2,3]benzoselenadiazolo[5,4-e][1,2,3]benzoselenadiazole
SMILESCc1cc2c(cc(C)c3[se]nnc32)c2nn[se]c12
InChIInChI=1S/C12H8N4Se2/c1-5-3-7-8(9-11(5)17-15-13-9)4-6(2)12-10(7)14-16-18-12/h3-4H,1-2H3
InChIKeyRGEHGAXLHMAIRM-UHFFFAOYSA-N
XLogP1.46
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.14
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,10-dimethyl-[1,2,3]benzoselenadiazolo[5,4-e][1,2,3]benzoselenadiazole?
The IUPAC name of 5,10-dimethyl-[1,2,3]benzoselenadiazolo[5,4-e][1,2,3]benzoselenadiazole (CID 153490227) is 5,10-dimethyl-[1,2,3]benzoselenadiazolo[5,4-e][1,2,3]benzoselenadiazole.
What is the SMILES notation for 5,10-dimethyl-[1,2,3]benzoselenadiazolo[5,4-e][1,2,3]benzoselenadiazole?
The canonical SMILES for 5,10-dimethyl-[1,2,3]benzoselenadiazolo[5,4-e][1,2,3]benzoselenadiazole is Cc1cc2c(cc(C)c3[se]nnc32)c2nn[se]c12.
What is the InChIKey of 5,10-dimethyl-[1,2,3]benzoselenadiazolo[5,4-e][1,2,3]benzoselenadiazole?
The InChIKey is RGEHGAXLHMAIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4Se2/c1-5-3-7-8(9-11(5)17-15-13-9)4-6(2)12-10(7)14-16-18-12/h3-4H,1-2H3.
What are the key properties of 5,10-dimethyl-[1,2,3]benzoselenadiazolo[5,4-e][1,2,3]benzoselenadiazole?
5,10-dimethyl-[1,2,3]benzoselenadiazolo[5,4-e][1,2,3]benzoselenadiazole has a molecular weight of 366.14 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dimethyl-[1,2,3]benzoselenadiazolo[5,4-e][1,2,3]benzoselenadiazole is sourced from PubChem (CID 153490227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).