10-[2-(2-fluorophenyl)indolizin-3-yl]phenothiazine

C26H17FN2S — CID 166527274

IUPAC10-[2-(2-fluorophenyl)indolizin-3-yl]phenothiazine
SMILESFc1ccccc1-c1cc2ccccn2c1N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C26H17FN2S/c27-21-11-2-1-10-19(21)20-17-18-9-7-8-16-28(18)26(20)29-22-12-3-5-14-24(22)30-25-15-6-4-13-23(25)29/h1-17H
InChIKeyIKNXDYKFADKCEK-UHFFFAOYSA-N
MW408.50 g/mol
LogP7.68
Rot. Bonds2

About 10-[2-(2-fluorophenyl)indolizin-3-yl]phenothiazine

10-[2-(2-fluorophenyl)indolizin-3-yl]phenothiazine (PubChem CID 166527274) has the molecular formula C26H17FN2S and a molecular weight of 408.50 g/mol. Its IUPAC name is 10-[2-(2-fluorophenyl)indolizin-3-yl]phenothiazine.

Molecular Properties

Compound Name10-[2-(2-fluorophenyl)indolizin-3-yl]phenothiazine
PubChem CID166527274
Molecular FormulaC26H17FN2S
Molecular Weight408.50 g/mol
Exact Mass408.11
IUPAC Name10-[2-(2-fluorophenyl)indolizin-3-yl]phenothiazine
SMILESFc1ccccc1-c1cc2ccccn2c1N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C26H17FN2S/c27-21-11-2-1-10-19(21)20-17-18-9-7-8-16-28(18)26(20)29-22-12-3-5-14-24(22)30-25-15-6-4-13-23(25)29/h1-17H
InChIKeyIKNXDYKFADKCEK-UHFFFAOYSA-N
XLogP7.68
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(2-fluorophenyl)indolizin-3-yl]phenothiazine?
The IUPAC name of 10-[2-(2-fluorophenyl)indolizin-3-yl]phenothiazine (CID 166527274) is 10-[2-(2-fluorophenyl)indolizin-3-yl]phenothiazine.
What is the SMILES notation for 10-[2-(2-fluorophenyl)indolizin-3-yl]phenothiazine?
The canonical SMILES for 10-[2-(2-fluorophenyl)indolizin-3-yl]phenothiazine is Fc1ccccc1-c1cc2ccccn2c1N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 10-[2-(2-fluorophenyl)indolizin-3-yl]phenothiazine?
The InChIKey is IKNXDYKFADKCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17FN2S/c27-21-11-2-1-10-19(21)20-17-18-9-7-8-16-28(18)26(20)29-22-12-3-5-14-24(22)30-25-15-6-4-13-23(25)29/h1-17H.
What are the key properties of 10-[2-(2-fluorophenyl)indolizin-3-yl]phenothiazine?
10-[2-(2-fluorophenyl)indolizin-3-yl]phenothiazine has a molecular weight of 408.50 g/mol, XLogP of 7.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(2-fluorophenyl)indolizin-3-yl]phenothiazine is sourced from PubChem (CID 166527274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).