12-selena-3,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10,13,15-heptaene

C13H8N2Se — CID 144569289

IUPAC12-selena-3,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10,13,15-heptaene
SMILESc1cnc2c(c1)[nH]c1cc3[se]ccc3cc12
InChIInChI=1S/C13H8N2Se/c1-2-10-13(14-4-1)9-6-8-3-5-16-12(8)7-11(9)15-10/h1-7,15H
InChIKeyYCTNFUHSGROXGX-UHFFFAOYSA-N
MW271.18 g/mol
LogP2.93
Rot. Bonds

About 12-selena-3,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10,13,15-heptaene

12-selena-3,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10,13,15-heptaene (PubChem CID 144569289) has the molecular formula C13H8N2Se and a molecular weight of 271.18 g/mol. Its IUPAC name is 12-selena-3,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10,13,15-heptaene.

Molecular Properties

Compound Name12-selena-3,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10,13,15-heptaene
PubChem CID144569289
Molecular FormulaC13H8N2Se
Molecular Weight271.18 g/mol
Exact Mass271.99
IUPAC Name12-selena-3,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10,13,15-heptaene
SMILESc1cnc2c(c1)[nH]c1cc3[se]ccc3cc12
InChIInChI=1S/C13H8N2Se/c1-2-10-13(14-4-1)9-6-8-3-5-16-12(8)7-11(9)15-10/h1-7,15H
InChIKeyYCTNFUHSGROXGX-UHFFFAOYSA-N
XLogP2.93
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 12-selena-3,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10,13,15-heptaene?
The IUPAC name of 12-selena-3,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10,13,15-heptaene (CID 144569289) is 12-selena-3,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10,13,15-heptaene.
What is the SMILES notation for 12-selena-3,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10,13,15-heptaene?
The canonical SMILES for 12-selena-3,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10,13,15-heptaene is c1cnc2c(c1)[nH]c1cc3[se]ccc3cc12.
What is the InChIKey of 12-selena-3,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10,13,15-heptaene?
The InChIKey is YCTNFUHSGROXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2Se/c1-2-10-13(14-4-1)9-6-8-3-5-16-12(8)7-11(9)15-10/h1-7,15H.
What are the key properties of 12-selena-3,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10,13,15-heptaene?
12-selena-3,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10,13,15-heptaene has a molecular weight of 271.18 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-selena-3,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10,13,15-heptaene is sourced from PubChem (CID 144569289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).