10-[2-(4-fluorophenyl)indolizin-3-yl]phenothiazine

C26H17FN2S — CID 166527265

IUPAC10-[2-(4-fluorophenyl)indolizin-3-yl]phenothiazine
SMILESFc1ccc(-c2cc3ccccn3c2N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C26H17FN2S/c27-19-14-12-18(13-15-19)21-17-20-7-5-6-16-28(20)26(21)29-22-8-1-3-10-24(22)30-25-11-4-2-9-23(25)29/h1-17H
InChIKeyKPXZVPIYCBXBCA-UHFFFAOYSA-N
MW408.50 g/mol
LogP7.68
Rot. Bonds2

About 10-[2-(4-fluorophenyl)indolizin-3-yl]phenothiazine

10-[2-(4-fluorophenyl)indolizin-3-yl]phenothiazine (PubChem CID 166527265) has the molecular formula C26H17FN2S and a molecular weight of 408.50 g/mol. Its IUPAC name is 10-[2-(4-fluorophenyl)indolizin-3-yl]phenothiazine.

Molecular Properties

Compound Name10-[2-(4-fluorophenyl)indolizin-3-yl]phenothiazine
PubChem CID166527265
Molecular FormulaC26H17FN2S
Molecular Weight408.50 g/mol
Exact Mass408.11
IUPAC Name10-[2-(4-fluorophenyl)indolizin-3-yl]phenothiazine
SMILESFc1ccc(-c2cc3ccccn3c2N2c3ccccc3Sc3ccccc32)cc1
InChIInChI=1S/C26H17FN2S/c27-19-14-12-18(13-15-19)21-17-20-7-5-6-16-28(20)26(21)29-22-8-1-3-10-24(22)30-25-11-4-2-9-23(25)29/h1-17H
InChIKeyKPXZVPIYCBXBCA-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-(4-fluorophenyl)indolizin-3-yl]phenothiazine?
The IUPAC name of 10-[2-(4-fluorophenyl)indolizin-3-yl]phenothiazine (CID 166527265) is 10-[2-(4-fluorophenyl)indolizin-3-yl]phenothiazine.
What is the SMILES notation for 10-[2-(4-fluorophenyl)indolizin-3-yl]phenothiazine?
The canonical SMILES for 10-[2-(4-fluorophenyl)indolizin-3-yl]phenothiazine is Fc1ccc(-c2cc3ccccn3c2N2c3ccccc3Sc3ccccc32)cc1.
What is the InChIKey of 10-[2-(4-fluorophenyl)indolizin-3-yl]phenothiazine?
The InChIKey is KPXZVPIYCBXBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17FN2S/c27-19-14-12-18(13-15-19)21-17-20-7-5-6-16-28(20)26(21)29-22-8-1-3-10-24(22)30-25-11-4-2-9-23(25)29/h1-17H.
What are the key properties of 10-[2-(4-fluorophenyl)indolizin-3-yl]phenothiazine?
10-[2-(4-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-(4-fluorophenyl)indolizin-3-yl]phenothiazine is sourced from PubChem (CID 166527265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).