4-fluoro-2-phenoxathiin-4-yl-6-triphenylen-2-ylpyridine

C35H20FNOS — CID 88923617

IUPAC4-fluoro-2-phenoxathiin-4-yl-6-triphenylen-2-ylpyridine
SMILESFc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)nc(-c2cccc3c2Oc2ccccc2S3)c1
InChIInChI=1S/C35H20FNOS/c36-22-19-30(37-31(20-22)28-12-7-15-34-35(28)38-32-13-5-6-14-33(32)39-34)21-16-17-27-25-10-2-1-8-23(25)24-9-3-4-11-26(24)29(27)18-21/h1-20H
InChIKeyGXNXEYKJTSUVOZ-UHFFFAOYSA-N
MW521.62 g/mol
LogP10.27
Rot. Bonds2

About 4-fluoro-2-phenoxathiin-4-yl-6-triphenylen-2-ylpyridine

4-fluoro-2-phenoxathiin-4-yl-6-triphenylen-2-ylpyridine (PubChem CID 88923617) has the molecular formula C35H20FNOS and a molecular weight of 521.62 g/mol. Its IUPAC name is 4-fluoro-2-phenoxathiin-4-yl-6-triphenylen-2-ylpyridine.

Molecular Properties

Compound Name4-fluoro-2-phenoxathiin-4-yl-6-triphenylen-2-ylpyridine
PubChem CID88923617
Molecular FormulaC35H20FNOS
Molecular Weight521.62 g/mol
Exact Mass521.12
IUPAC Name4-fluoro-2-phenoxathiin-4-yl-6-triphenylen-2-ylpyridine
SMILESFc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)nc(-c2cccc3c2Oc2ccccc2S3)c1
InChIInChI=1S/C35H20FNOS/c36-22-19-30(37-31(20-22)28-12-7-15-34-35(28)38-32-13-5-6-14-33(32)39-34)21-16-17-27-25-10-2-1-8-23(25)24-9-3-4-11-26(24)29(27)18-21/h1-20H
InChIKeyGXNXEYKJTSUVOZ-UHFFFAOYSA-N
XLogP10.27
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.62
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-phenoxathiin-2-yl-6-triphenylen-2-ylpyridine
CID 88923267
5-phenoxathiin-4-yl-2-triphenylen-2-ylpyrimidine
CID 88923208
4-phenoxathiin-4-ylquinazolin-2-amine
CID 69186251
4-phenoxathiin-4-ylphenol
CID 134915500
1-phenoxathiin-4-ylnaphthalen-2-ol
CID 89495024
2-chloro-5-phenoxathiin-4-ylpyrimidine
CID 88923607
2-dibenzofuran-2-yl-4-phenoxathiin-1-yl-6-triphenylen-2-yl-1,3,5-triazine
CID 129223961
N-(4-phenoxathiin-4-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 118133947
2-(3-phenyl-5-triphenylen-2-ylphenyl)phenoxathiine
CID 88923670
4-[4-[4-phenoxathiin-4-yl-2,5-bis(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]phenoxathiine
CID 140831758
1-[5-(10-phenyltriphenylen-2-yl)thiophen-2-yl]phenoxathiine
CID 129224032
5-phenoxathiin-2-yl-2-(7-phenyltriphenylen-2-yl)pyrimidine
CID 88923827

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-phenoxathiin-4-yl-6-triphenylen-2-ylpyridine?
The IUPAC name of 4-fluoro-2-phenoxathiin-4-yl-6-triphenylen-2-ylpyridine (CID 88923617) is 4-fluoro-2-phenoxathiin-4-yl-6-triphenylen-2-ylpyridine.
What is the SMILES notation for 4-fluoro-2-phenoxathiin-4-yl-6-triphenylen-2-ylpyridine?
The canonical SMILES for 4-fluoro-2-phenoxathiin-4-yl-6-triphenylen-2-ylpyridine is Fc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)nc(-c2cccc3c2Oc2ccccc2S3)c1.
What is the InChIKey of 4-fluoro-2-phenoxathiin-4-yl-6-triphenylen-2-ylpyridine?
The InChIKey is GXNXEYKJTSUVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20FNOS/c36-22-19-30(37-31(20-22)28-12-7-15-34-35(28)38-32-13-5-6-14-33(32)39-34)21-16-17-27-25-10-2-1-8-23(25)24-9-3-4-11-26(24)29(27)18-21/h1-20H.
What are the key properties of 4-fluoro-2-phenoxathiin-4-yl-6-triphenylen-2-ylpyridine?
4-fluoro-2-phenoxathiin-4-yl-6-triphenylen-2-ylpyridine has a molecular weight of 521.62 g/mol, XLogP of 10.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-phenoxathiin-4-yl-6-triphenylen-2-ylpyridine is sourced from PubChem (CID 88923617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).