(3-chlorophenyl)-[4-[4-[tris(4-fluorophenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]methanone

C37H24ClF3OS2 — CID 172818049

IUPAC(3-chlorophenyl)-[4-[4-[tris(4-fluorophenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]methanone
SMILESO=C(c1ccc(Sc2ccc(S(c3ccc(F)cc3)(c3ccc(F)cc3)c3ccc(F)cc3)cc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C37H24ClF3OS2/c38-27-3-1-2-26(24-27)37(42)25-4-12-31(13-5-25)43-32-14-22-36(23-15-32)44(33-16-6-28(39)7-17-33,34-18-8-29(40)9-19-34)35-20-10-30(41)11-21-35/h1-24H
InChIKeyTVKYDSHXKFFKFZ-UHFFFAOYSA-N
MW641.18 g/mol
LogP11.48
Rot. Bonds8

About (3-chlorophenyl)-[4-[4-[tris(4-fluorophenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]methanone

(3-chlorophenyl)-[4-[4-[tris(4-fluorophenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]methanone (PubChem CID 172818049) has the molecular formula C37H24ClF3OS2 and a molecular weight of 641.18 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-[4-[tris(4-fluorophenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-[4-[tris(4-fluorophenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]methanone
PubChem CID172818049
Molecular FormulaC37H24ClF3OS2
Molecular Weight641.18 g/mol
Exact Mass640.09
IUPAC Name(3-chlorophenyl)-[4-[4-[tris(4-fluorophenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]methanone
SMILESO=C(c1ccc(Sc2ccc(S(c3ccc(F)cc3)(c3ccc(F)cc3)c3ccc(F)cc3)cc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C37H24ClF3OS2/c38-27-3-1-2-26(24-27)37(42)25-4-12-31(13-5-25)43-32-14-22-36(23-15-32)44(33-16-6-28(39)7-17-33,34-18-8-29(40)9-19-34)35-20-10-30(41)11-21-35/h1-24H
InChIKeyTVKYDSHXKFFKFZ-UHFFFAOYSA-N
XLogP11.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.18
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-[4-[tris(4-fluorophenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-[4-[tris(4-fluorophenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]methanone (CID 172818049) is (3-chlorophenyl)-[4-[4-[tris(4-fluorophenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-[4-[tris(4-fluorophenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-[4-[tris(4-fluorophenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]methanone is O=C(c1ccc(Sc2ccc(S(c3ccc(F)cc3)(c3ccc(F)cc3)c3ccc(F)cc3)cc2)cc1)c1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)-[4-[4-[tris(4-fluorophenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]methanone?
The InChIKey is TVKYDSHXKFFKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24ClF3OS2/c38-27-3-1-2-26(24-27)37(42)25-4-12-31(13-5-25)43-32-14-22-36(23-15-32)44(33-16-6-28(39)7-17-33,34-18-8-29(40)9-19-34)35-20-10-30(41)11-21-35/h1-24H.
What are the key properties of (3-chlorophenyl)-[4-[4-[tris(4-fluorophenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]methanone?
(3-chlorophenyl)-[4-[4-[tris(4-fluorophenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]methanone has a molecular weight of 641.18 g/mol, XLogP of 11.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-[4-[tris(4-fluorophenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]methanone is sourced from PubChem (CID 172818049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).