2-phenyl-3-phenylsulfanylindolizine

C20H15NS — CID 3532301

IUPAC2-phenyl-3-phenylsulfanylindolizine
SMILESc1ccc(Sc2c(-c3ccccc3)cc3ccccn23)cc1
InChIInChI=1S/C20H15NS/c1-3-9-16(10-4-1)19-15-17-11-7-8-14-21(17)20(19)22-18-12-5-2-6-13-18/h1-15H
InChIKeyRRSNEIVGENHGRM-UHFFFAOYSA-N
MW301.41 g/mol
LogP5.76
Rot. Bonds3

About 2-phenyl-3-phenylsulfanylindolizine

2-phenyl-3-phenylsulfanylindolizine (PubChem CID 3532301) has the molecular formula C20H15NS and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-phenyl-3-phenylsulfanylindolizine.

Molecular Properties

Compound Name2-phenyl-3-phenylsulfanylindolizine
PubChem CID3532301
Molecular FormulaC20H15NS
Molecular Weight301.41 g/mol
Exact Mass301.09
IUPAC Name2-phenyl-3-phenylsulfanylindolizine
SMILESc1ccc(Sc2c(-c3ccccc3)cc3ccccn23)cc1
InChIInChI=1S/C20H15NS/c1-3-9-16(10-4-1)19-15-17-11-7-8-14-21(17)20(19)22-18-12-5-2-6-13-18/h1-15H
InChIKeyRRSNEIVGENHGRM-UHFFFAOYSA-N
XLogP5.76
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.41
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-phenylsulfanylindolizine?
The IUPAC name of 2-phenyl-3-phenylsulfanylindolizine (CID 3532301) is 2-phenyl-3-phenylsulfanylindolizine.
What is the SMILES notation for 2-phenyl-3-phenylsulfanylindolizine?
The canonical SMILES for 2-phenyl-3-phenylsulfanylindolizine is c1ccc(Sc2c(-c3ccccc3)cc3ccccn23)cc1.
What is the InChIKey of 2-phenyl-3-phenylsulfanylindolizine?
The InChIKey is RRSNEIVGENHGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NS/c1-3-9-16(10-4-1)19-15-17-11-7-8-14-21(17)20(19)22-18-12-5-2-6-13-18/h1-15H.
What are the key properties of 2-phenyl-3-phenylsulfanylindolizine?
2-phenyl-3-phenylsulfanylindolizine has a molecular weight of 301.41 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-phenylsulfanylindolizine is sourced from PubChem (CID 3532301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).