2-(3,5-dichlorophenyl)-1-[2-(3,5-dichlorophenyl)-3-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]sulfinyl-3-[(E)-3,3,3-trifluoroprop-1-enyl]benzene

C30H16Cl4F6OS — CID 141395005

IUPAC2-(3,5-dichlorophenyl)-1-[2-(3,5-dichlorophenyl)-3-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]sulfinyl-3-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
SMILESO=S(c1cccc(/C=C/C(F)(F)F)c1-c1cc(Cl)cc(Cl)c1)c1cccc(/C=C/C(F)(F)F)c1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C30H16Cl4F6OS/c31-21-11-19(12-22(32)15-21)27-17(7-9-29(35,36)37)3-1-5-25(27)42(41)26-6-2-4-18(8-10-30(38,39)40)28(26)20-13-23(33)16-24(34)14-20/h1-16H/b9-7+,10-8+
InChIKeyOGNDKFLJOMVTJA-FIFLTTCUSA-N
MW680.32 g/mol
LogP11.95
Rot. Bonds6

About 2-(3,5-dichlorophenyl)-1-[2-(3,5-dichlorophenyl)-3-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]sulfinyl-3-[(E)-3,3,3-trifluoroprop-1-enyl]benzene

2-(3,5-dichlorophenyl)-1-[2-(3,5-dichlorophenyl)-3-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]sulfinyl-3-[(E)-3,3,3-trifluoroprop-1-enyl]benzene (PubChem CID 141395005) has the molecular formula C30H16Cl4F6OS and a molecular weight of 680.32 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-1-[2-(3,5-dichlorophenyl)-3-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]sulfinyl-3-[(E)-3,3,3-trifluoroprop-1-enyl]benzene.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-1-[2-(3,5-dichlorophenyl)-3-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]sulfinyl-3-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
PubChem CID141395005
Molecular FormulaC30H16Cl4F6OS
Molecular Weight680.32 g/mol
Exact Mass677.96
IUPAC Name2-(3,5-dichlorophenyl)-1-[2-(3,5-dichlorophenyl)-3-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]sulfinyl-3-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
SMILESO=S(c1cccc(/C=C/C(F)(F)F)c1-c1cc(Cl)cc(Cl)c1)c1cccc(/C=C/C(F)(F)F)c1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C30H16Cl4F6OS/c31-21-11-19(12-22(32)15-21)27-17(7-9-29(35,36)37)3-1-5-25(27)42(41)26-6-2-4-18(8-10-30(38,39)40)28(26)20-13-23(33)16-24(34)14-20/h1-16H/b9-7+,10-8+
InChIKeyOGNDKFLJOMVTJA-FIFLTTCUSA-N
XLogP11.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.32
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3,5-dichlorophenyl)-1-[2-(3,5-dichlorophenyl)-3-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]sulfinyl-3-[(E)-3,3,3-trifluoroprop-1-enyl]benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-1-[2-(3,5-dichlorophenyl)-3-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]sulfinyl-3-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?
The IUPAC name of 2-(3,5-dichlorophenyl)-1-[2-(3,5-dichlorophenyl)-3-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]sulfinyl-3-[(E)-3,3,3-trifluoroprop-1-enyl]benzene (CID 141395005) is 2-(3,5-dichlorophenyl)-1-[2-(3,5-dichlorophenyl)-3-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]sulfinyl-3-[(E)-3,3,3-trifluoroprop-1-enyl]benzene.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-1-[2-(3,5-dichlorophenyl)-3-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]sulfinyl-3-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?
The canonical SMILES for 2-(3,5-dichlorophenyl)-1-[2-(3,5-dichlorophenyl)-3-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]sulfinyl-3-[(E)-3,3,3-trifluoroprop-1-enyl]benzene is O=S(c1cccc(/C=C/C(F)(F)F)c1-c1cc(Cl)cc(Cl)c1)c1cccc(/C=C/C(F)(F)F)c1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-1-[2-(3,5-dichlorophenyl)-3-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]sulfinyl-3-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?
The InChIKey is OGNDKFLJOMVTJA-FIFLTTCUSA-N. The full InChI is InChI=1S/C30H16Cl4F6OS/c31-21-11-19(12-22(32)15-21)27-17(7-9-29(35,36)37)3-1-5-25(27)42(41)26-6-2-4-18(8-10-30(38,39)40)28(26)20-13-23(33)16-24(34)14-20/h1-16H/b9-7+,10-8+.
What are the key properties of 2-(3,5-dichlorophenyl)-1-[2-(3,5-dichlorophenyl)-3-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]sulfinyl-3-[(E)-3,3,3-trifluoroprop-1-enyl]benzene?
2-(3,5-dichlorophenyl)-1-[2-(3,5-dichlorophenyl)-3-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]sulfinyl-3-[(E)-3,3,3-trifluoroprop-1-enyl]benzene has a molecular weight of 680.32 g/mol, XLogP of 11.95, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-1-[2-(3,5-dichlorophenyl)-3-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]sulfinyl-3-[(E)-3,3,3-trifluoroprop-1-enyl]benzene is sourced from PubChem (CID 141395005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).