15-[4-(trifluoromethyl)phenyl]-8,11-dithia-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene

C19H10F3NS2 — CID 170972421

IUPAC15-[4-(trifluoromethyl)phenyl]-8,11-dithia-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene
SMILESFC(F)(F)c1ccc(-n2c3ccsc3c3sc4ccccc4c32)cc1
InChIInChI=1S/C19H10F3NS2/c20-19(21,22)11-5-7-12(8-6-11)23-14-9-10-24-17(14)18-16(23)13-3-1-2-4-15(13)25-18/h1-10H
InChIKeyTZMCJJOHXBQKEE-UHFFFAOYSA-N
MW373.42 g/mol
LogP7.08
Rot. Bonds1

About 15-[4-(trifluoromethyl)phenyl]-8,11-dithia-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene

15-[4-(trifluoromethyl)phenyl]-8,11-dithia-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene (PubChem CID 170972421) has the molecular formula C19H10F3NS2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 15-[4-(trifluoromethyl)phenyl]-8,11-dithia-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene.

Molecular Properties

Compound Name15-[4-(trifluoromethyl)phenyl]-8,11-dithia-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene
PubChem CID170972421
Molecular FormulaC19H10F3NS2
Molecular Weight373.42 g/mol
Exact Mass373.02
IUPAC Name15-[4-(trifluoromethyl)phenyl]-8,11-dithia-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene
SMILESFC(F)(F)c1ccc(-n2c3ccsc3c3sc4ccccc4c32)cc1
InChIInChI=1S/C19H10F3NS2/c20-19(21,22)11-5-7-12(8-6-11)23-14-9-10-24-17(14)18-16(23)13-3-1-2-4-15(13)25-18/h1-10H
InChIKeyTZMCJJOHXBQKEE-UHFFFAOYSA-N
XLogP7.08
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.42
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15-[4-(trifluoromethyl)phenyl]-8,11-dithia-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene with MolForge

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Related Compounds

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CID 139258902
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12-(4-Fluorophenyl)-11,15-dithia-8-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene
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Frequently Asked Questions

What is the IUPAC name of 15-[4-(trifluoromethyl)phenyl]-8,11-dithia-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene?
The IUPAC name of 15-[4-(trifluoromethyl)phenyl]-8,11-dithia-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene (CID 170972421) is 15-[4-(trifluoromethyl)phenyl]-8,11-dithia-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene.
What is the SMILES notation for 15-[4-(trifluoromethyl)phenyl]-8,11-dithia-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene?
The canonical SMILES for 15-[4-(trifluoromethyl)phenyl]-8,11-dithia-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene is FC(F)(F)c1ccc(-n2c3ccsc3c3sc4ccccc4c32)cc1.
What is the InChIKey of 15-[4-(trifluoromethyl)phenyl]-8,11-dithia-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene?
The InChIKey is TZMCJJOHXBQKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F3NS2/c20-19(21,22)11-5-7-12(8-6-11)23-14-9-10-24-17(14)18-16(23)13-3-1-2-4-15(13)25-18/h1-10H.
What are the key properties of 15-[4-(trifluoromethyl)phenyl]-8,11-dithia-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene?
15-[4-(trifluoromethyl)phenyl]-8,11-dithia-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene has a molecular weight of 373.42 g/mol, XLogP of 7.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[4-(trifluoromethyl)phenyl]-8,11-dithia-15-azatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2,4,6,10(14),12-hexaene is sourced from PubChem (CID 170972421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).