pentafluoro-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]-λ6-sulfane

C21H13F6NS — CID 122383432

IUPACpentafluoro-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]-λ6-sulfane
SMILESFc1ccc(-c2cc(-c3ccccc3)c3cc(S(F)(F)(F)(F)F)ccc3n2)cc1
InChIInChI=1S/C21H13F6NS/c22-16-8-6-15(7-9-16)21-13-18(14-4-2-1-3-5-14)19-12-17(10-11-20(19)28-21)29(23,24,25,26)27/h1-13H
InChIKeyDONUJCOIIFVCFX-UHFFFAOYSA-N
MW425.40 g/mol
LogP8.37
Rot. Bonds3

About pentafluoro-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]-λ6-sulfane

pentafluoro-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]-λ6-sulfane (PubChem CID 122383432) has the molecular formula C21H13F6NS and a molecular weight of 425.40 g/mol. Its IUPAC name is pentafluoro-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]-λ6-sulfane
PubChem CID122383432
Molecular FormulaC21H13F6NS
Molecular Weight425.40 g/mol
Exact Mass425.07
IUPAC Namepentafluoro-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]-λ6-sulfane
SMILESFc1ccc(-c2cc(-c3ccccc3)c3cc(S(F)(F)(F)(F)F)ccc3n2)cc1
InChIInChI=1S/C21H13F6NS/c22-16-8-6-15(7-9-16)21-13-18(14-4-2-1-3-5-14)19-12-17(10-11-20(19)28-21)29(23,24,25,26)27/h1-13H
InChIKeyDONUJCOIIFVCFX-UHFFFAOYSA-N
XLogP8.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.40
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-bis(4-fluorophenyl)quinoline
CID 19694816
3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline
CID 17202000
4-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline
CID 56807096
2-(3,5-difluorophenyl)-4-phenylquinoline
CID 155627719
2,4-diphenyl-N,N-bis(4-phenylphenyl)quinolin-6-amine
CID 142713547
6-(4-fluorophenyl)-2-phenylquinoline
CID 122365285
6-ethyl-2,4-diphenylquinoline
CID 132522547
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(4-fluorophenyl)benzo[k]phenanthridine
CID 138605693
1-(4-fluorophenyl)-3,6,8-triphenylpyrene
CID 59391144
7-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 154716816
4-(18F)fluoro-2-phenylquinoline
CID 155642613
6,7-difluoro-2-(2-iodophenyl)-4-phenylquinoline
CID 70836223

Frequently Asked Questions

What is the IUPAC name of pentafluoro-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]-λ6-sulfane?
The IUPAC name of pentafluoro-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]-λ6-sulfane (CID 122383432) is pentafluoro-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]-λ6-sulfane.
What is the SMILES notation for pentafluoro-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]-λ6-sulfane?
The canonical SMILES for pentafluoro-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]-λ6-sulfane is Fc1ccc(-c2cc(-c3ccccc3)c3cc(S(F)(F)(F)(F)F)ccc3n2)cc1.
What is the InChIKey of pentafluoro-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]-λ6-sulfane?
The InChIKey is DONUJCOIIFVCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F6NS/c22-16-8-6-15(7-9-16)21-13-18(14-4-2-1-3-5-14)19-12-17(10-11-20(19)28-21)29(23,24,25,26)27/h1-13H.
What are the key properties of pentafluoro-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]-λ6-sulfane?
pentafluoro-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]-λ6-sulfane has a molecular weight of 425.40 g/mol, XLogP of 8.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-[2-(4-fluorophenyl)-4-phenylquinolin-6-yl]-λ6-sulfane is sourced from PubChem (CID 122383432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).