10-(2-phenylindolizin-3-yl)-2-(trifluoromethyl)phenothiazine

C27H17F3N2S — CID 166527263

IUPAC10-(2-phenylindolizin-3-yl)-2-(trifluoromethyl)phenothiazine
SMILESFC(F)(F)c1ccc2c(c1)N(c1c(-c3ccccc3)cc3ccccn13)c1ccccc1S2
InChIInChI=1S/C27H17F3N2S/c28-27(29,30)19-13-14-25-23(16-19)32(22-11-4-5-12-24(22)33-25)26-21(18-8-2-1-3-9-18)17-20-10-6-7-15-31(20)26/h1-17H
InChIKeyZIMCPHITXCGQEY-UHFFFAOYSA-N
MW458.51 g/mol
LogP8.56
Rot. Bonds2

About 10-(2-phenylindolizin-3-yl)-2-(trifluoromethyl)phenothiazine

10-(2-phenylindolizin-3-yl)-2-(trifluoromethyl)phenothiazine (PubChem CID 166527263) has the molecular formula C27H17F3N2S and a molecular weight of 458.51 g/mol. Its IUPAC name is 10-(2-phenylindolizin-3-yl)-2-(trifluoromethyl)phenothiazine.

Molecular Properties

Compound Name10-(2-phenylindolizin-3-yl)-2-(trifluoromethyl)phenothiazine
PubChem CID166527263
Molecular FormulaC27H17F3N2S
Molecular Weight458.51 g/mol
Exact Mass458.11
IUPAC Name10-(2-phenylindolizin-3-yl)-2-(trifluoromethyl)phenothiazine
SMILESFC(F)(F)c1ccc2c(c1)N(c1c(-c3ccccc3)cc3ccccn13)c1ccccc1S2
InChIInChI=1S/C27H17F3N2S/c28-27(29,30)19-13-14-25-23(16-19)32(22-11-4-5-12-24(22)33-25)26-21(18-8-2-1-3-9-18)17-20-10-6-7-15-31(20)26/h1-17H
InChIKeyZIMCPHITXCGQEY-UHFFFAOYSA-N
XLogP8.56
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.51
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(2-phenylindolizin-3-yl)-2-(trifluoromethyl)phenothiazine?
The IUPAC name of 10-(2-phenylindolizin-3-yl)-2-(trifluoromethyl)phenothiazine (CID 166527263) is 10-(2-phenylindolizin-3-yl)-2-(trifluoromethyl)phenothiazine.
What is the SMILES notation for 10-(2-phenylindolizin-3-yl)-2-(trifluoromethyl)phenothiazine?
The canonical SMILES for 10-(2-phenylindolizin-3-yl)-2-(trifluoromethyl)phenothiazine is FC(F)(F)c1ccc2c(c1)N(c1c(-c3ccccc3)cc3ccccn13)c1ccccc1S2.
What is the InChIKey of 10-(2-phenylindolizin-3-yl)-2-(trifluoromethyl)phenothiazine?
The InChIKey is ZIMCPHITXCGQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17F3N2S/c28-27(29,30)19-13-14-25-23(16-19)32(22-11-4-5-12-24(22)33-25)26-21(18-8-2-1-3-9-18)17-20-10-6-7-15-31(20)26/h1-17H.
What are the key properties of 10-(2-phenylindolizin-3-yl)-2-(trifluoromethyl)phenothiazine?
10-(2-phenylindolizin-3-yl)-2-(trifluoromethyl)phenothiazine has a molecular weight of 458.51 g/mol, XLogP of 8.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-phenylindolizin-3-yl)-2-(trifluoromethyl)phenothiazine is sourced from PubChem (CID 166527263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).