8,14-dithia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),12-hexaen-16-one

C12H6N2OS2 — CID 3074599

IUPAC8,14-dithia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),12-hexaen-16-one
SMILESO=c1c2sccc2nc2sc3ccccc3n12
InChIInChI=1S/C12H6N2OS2/c15-11-10-7(5-6-16-10)13-12-14(11)8-3-1-2-4-9(8)17-12/h1-6H
InChIKeyIQOVESQGPDBVAQ-UHFFFAOYSA-N
MW258.33 g/mol
LogP3.12
Rot. Bonds

About 8,14-dithia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),12-hexaen-16-one

8,14-dithia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),12-hexaen-16-one (PubChem CID 3074599) has the molecular formula C12H6N2OS2 and a molecular weight of 258.33 g/mol. Its IUPAC name is 8,14-dithia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),12-hexaen-16-one.

Molecular Properties

Compound Name8,14-dithia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),12-hexaen-16-one
PubChem CID3074599
Molecular FormulaC12H6N2OS2
Molecular Weight258.33 g/mol
Exact Mass257.99
IUPAC Name8,14-dithia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),12-hexaen-16-one
SMILESO=c1c2sccc2nc2sc3ccccc3n12
InChIInChI=1S/C12H6N2OS2/c15-11-10-7(5-6-16-10)13-12-14(11)8-3-1-2-4-9(8)17-12/h1-6H
InChIKeyIQOVESQGPDBVAQ-UHFFFAOYSA-N
XLogP3.12
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8,14-dithia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),12-hexaen-16-one?
The IUPAC name of 8,14-dithia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),12-hexaen-16-one (CID 3074599) is 8,14-dithia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),12-hexaen-16-one.
What is the SMILES notation for 8,14-dithia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),12-hexaen-16-one?
The canonical SMILES for 8,14-dithia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),12-hexaen-16-one is O=c1c2sccc2nc2sc3ccccc3n12.
What is the InChIKey of 8,14-dithia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),12-hexaen-16-one?
The InChIKey is IQOVESQGPDBVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N2OS2/c15-11-10-7(5-6-16-10)13-12-14(11)8-3-1-2-4-9(8)17-12/h1-6H.
What are the key properties of 8,14-dithia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),12-hexaen-16-one?
8,14-dithia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),12-hexaen-16-one has a molecular weight of 258.33 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,14-dithia-1,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,9,11(15),12-hexaen-16-one is sourced from PubChem (CID 3074599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).