8,14-dithia-11,12,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene

C11H7N3S2 — CID 107646806

IUPAC8,14-dithia-11,12,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene
SMILESc1ccc2c(c1)SCc1c-2nc2scnn12
InChIInChI=1S/C11H7N3S2/c1-2-4-9-7(3-1)10-8(5-15-9)14-11(13-10)16-6-12-14/h1-4,6H,5H2
InChIKeyWGTPMFTVWVMKBQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.06
Rot. Bonds

About 8,14-dithia-11,12,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene

8,14-dithia-11,12,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene (PubChem CID 107646806) has the molecular formula C11H7N3S2 and a molecular weight of 245.33 g/mol. Its IUPAC name is 8,14-dithia-11,12,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene.

Molecular Properties

Compound Name8,14-dithia-11,12,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene
PubChem CID107646806
Molecular FormulaC11H7N3S2
Molecular Weight245.33 g/mol
Exact Mass245.01
IUPAC Name8,14-dithia-11,12,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene
SMILESc1ccc2c(c1)SCc1c-2nc2scnn12
InChIInChI=1S/C11H7N3S2/c1-2-4-9-7(3-1)10-8(5-15-9)14-11(13-10)16-6-12-14/h1-4,6H,5H2
InChIKeyWGTPMFTVWVMKBQ-UHFFFAOYSA-N
XLogP3.06
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8,14-dithia-11,12,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene?
The IUPAC name of 8,14-dithia-11,12,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene (CID 107646806) is 8,14-dithia-11,12,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene.
What is the SMILES notation for 8,14-dithia-11,12,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene?
The canonical SMILES for 8,14-dithia-11,12,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene is c1ccc2c(c1)SCc1c-2nc2scnn12.
What is the InChIKey of 8,14-dithia-11,12,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene?
The InChIKey is WGTPMFTVWVMKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3S2/c1-2-4-9-7(3-1)10-8(5-15-9)14-11(13-10)16-6-12-14/h1-4,6H,5H2.
What are the key properties of 8,14-dithia-11,12,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene?
8,14-dithia-11,12,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene has a molecular weight of 245.33 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,14-dithia-11,12,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene is sourced from PubChem (CID 107646806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).