3-selena-4,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene

C15H10N2Se — CID 12682367

IUPAC3-selena-4,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene
SMILESc1ccc2c(c1)Cc1ccccc1-c1[se]nnc1-2
InChIInChI=1S/C15H10N2Se/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)15-14(12)16-17-18-15/h1-8H,9H2
InChIKeyNGEUWWGCJNQEQW-UHFFFAOYSA-N
MW297.22 g/mol
LogP2.77
Rot. Bonds

About 3-selena-4,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene

3-selena-4,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene (PubChem CID 12682367) has the molecular formula C15H10N2Se and a molecular weight of 297.22 g/mol. Its IUPAC name is 3-selena-4,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene.

Molecular Properties

Compound Name3-selena-4,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene
PubChem CID12682367
Molecular FormulaC15H10N2Se
Molecular Weight297.22 g/mol
Exact Mass298.00
IUPAC Name3-selena-4,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene
SMILESc1ccc2c(c1)Cc1ccccc1-c1[se]nnc1-2
InChIInChI=1S/C15H10N2Se/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)15-14(12)16-17-18-15/h1-8H,9H2
InChIKeyNGEUWWGCJNQEQW-UHFFFAOYSA-N
XLogP2.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-selena-4,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene with MolForge

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Related Compounds

4,5-Dihydrobenzo[e][1,2,3]benzoselenadiazole
CID 3011112
4,5-Diphenyl-1,2,3-selenadiazole
CID 11161930
5-Methyl-4-phenylselenadiazole
CID 134897569
4,5-Bis(4-tert-butylphenyl)selenadiazole
CID 134881671
4-(4-Tert-butylphenyl)-5-phenylselenadiazole
CID 134881695
3,4,5-Triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene
CID 134912310
4-Thia-3,5-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene
CID 11106418
5-Selena-3,4-diazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),3,11,13-pentaene
CID 21721570
5-Selena-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene
CID 21721571
4,5-Diphenyl-1-sulfanyltriazole
CID 21646467
1-Cyclopenta-1,4-dien-1-yl-4-phenylphthalazine
CID 58854062
1-Cyclopenta-1,3-dien-1-yl-4-phenylphthalazine
CID 58854064

Frequently Asked Questions

What is the IUPAC name of 3-selena-4,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene?
The IUPAC name of 3-selena-4,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene (CID 12682367) is 3-selena-4,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene.
What is the SMILES notation for 3-selena-4,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene?
The canonical SMILES for 3-selena-4,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene is c1ccc2c(c1)Cc1ccccc1-c1[se]nnc1-2.
What is the InChIKey of 3-selena-4,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene?
The InChIKey is NGEUWWGCJNQEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2Se/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)15-14(12)16-17-18-15/h1-8H,9H2.
What are the key properties of 3-selena-4,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene?
3-selena-4,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene has a molecular weight of 297.22 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-selena-4,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene is sourced from PubChem (CID 12682367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).