1,2-dichloro-4-[3-(4-chlorophenyl)-3-[1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enyl]sulfonylprop-1-enyl]benzene

C30H20Cl6O2S — CID 173033063

IUPAC1,2-dichloro-4-[3-(4-chlorophenyl)-3-[1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enyl]sulfonylprop-1-enyl]benzene
SMILESO=S(=O)(C(C=Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1)C(C=Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C30H20Cl6O2S/c31-23-9-5-21(6-10-23)29(15-3-19-1-13-25(33)27(35)17-19)39(37,38)30(22-7-11-24(32)12-8-22)16-4-20-2-14-26(34)28(36)18-20/h1-18,29-30H
InChIKeyPYTYXDTUNYQDNZ-UHFFFAOYSA-N
MW657.27 g/mol
LogP11.23
Rot. Bonds8

About 1,2-dichloro-4-[3-(4-chlorophenyl)-3-[1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enyl]sulfonylprop-1-enyl]benzene

1,2-dichloro-4-[3-(4-chlorophenyl)-3-[1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enyl]sulfonylprop-1-enyl]benzene (PubChem CID 173033063) has the molecular formula C30H20Cl6O2S and a molecular weight of 657.27 g/mol. Its IUPAC name is 1,2-dichloro-4-[3-(4-chlorophenyl)-3-[1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enyl]sulfonylprop-1-enyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[3-(4-chlorophenyl)-3-[1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enyl]sulfonylprop-1-enyl]benzene
PubChem CID173033063
Molecular FormulaC30H20Cl6O2S
Molecular Weight657.27 g/mol
Exact Mass653.93
IUPAC Name1,2-dichloro-4-[3-(4-chlorophenyl)-3-[1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enyl]sulfonylprop-1-enyl]benzene
SMILESO=S(=O)(C(C=Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1)C(C=Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C30H20Cl6O2S/c31-23-9-5-21(6-10-23)29(15-3-19-1-13-25(33)27(35)17-19)39(37,38)30(22-7-11-24(32)12-8-22)16-4-20-2-14-26(34)28(36)18-20/h1-18,29-30H
InChIKeyPYTYXDTUNYQDNZ-UHFFFAOYSA-N
XLogP11.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.27
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-3-(4-chlorophenyl)-3-[(E)-1-(4-chlorophenyl)-3-(4-iodophenyl)prop-2-enyl]sulfonylprop-1-enyl]-4-iodobenzene
CID 87903521
1-chloro-4-[(E)-3-[(E)-3-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]sulfonyl-3-[4-(trifluoromethyl)phenyl]prop-1-enyl]benzene
CID 87210953
1-chloro-4-[3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 66937867
4-bromo-1-[(E)-3-[(E)-3-(4-bromo-2-chlorophenyl)-1-(4-chlorophenyl)prop-2-enyl]sulfonyl-3-(4-chlorophenyl)prop-1-enyl]-2-chlorobenzene
CID 87962304
2-[(E)-3-(4-chlorophenyl)-3-[(E)-1-(4-chlorophenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonylprop-1-enyl]-1,3,5-trimethoxybenzene
CID 68558076
1-[(E)-3-(4-chlorophenyl)-1-[(E)-3-(4-chlorophenyl)-1-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]sulfonylprop-2-enyl]-2,3,4,5,6-pentafluorobenzene
CID 87211070
2-chloro-1-[(E)-3-[(E)-3-(2-chloro-4-fluorophenyl)-1-(4-fluorophenyl)prop-2-enyl]sulfonyl-3-(4-fluorophenyl)prop-1-enyl]-4-fluorobenzene
CID 87962814
1-fluoro-4-[(E)-3-[(E)-3-(4-fluorophenyl)-1-(4-iodophenyl)prop-2-enyl]sulfonyl-3-(4-iodophenyl)prop-1-enyl]benzene
CID 87903581
2-(3,4-dichlorophenyl)ethenesulfonyl chloride;sulfur trioxide
CID 161252073
1-[3-(4-fluorophenyl)-3-[1-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]sulfonylprop-1-enyl]-3-(trifluoromethyl)benzene
CID 173033091
4-[(E)-1-[(E)-1-(4-cyanophenyl)-3-(4-fluorophenyl)prop-2-enyl]sulfonyl-3-(4-fluorophenyl)prop-2-enyl]benzonitrile
CID 87211067
1,2-dichloro-4-[2-[(4-chlorophenyl)methylsulfinyl]ethenyl]benzene
CID 68558438

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[3-(4-chlorophenyl)-3-[1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enyl]sulfonylprop-1-enyl]benzene?
The IUPAC name of 1,2-dichloro-4-[3-(4-chlorophenyl)-3-[1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enyl]sulfonylprop-1-enyl]benzene (CID 173033063) is 1,2-dichloro-4-[3-(4-chlorophenyl)-3-[1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enyl]sulfonylprop-1-enyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[3-(4-chlorophenyl)-3-[1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enyl]sulfonylprop-1-enyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[3-(4-chlorophenyl)-3-[1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enyl]sulfonylprop-1-enyl]benzene is O=S(=O)(C(C=Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1)C(C=Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1,2-dichloro-4-[3-(4-chlorophenyl)-3-[1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enyl]sulfonylprop-1-enyl]benzene?
The InChIKey is PYTYXDTUNYQDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20Cl6O2S/c31-23-9-5-21(6-10-23)29(15-3-19-1-13-25(33)27(35)17-19)39(37,38)30(22-7-11-24(32)12-8-22)16-4-20-2-14-26(34)28(36)18-20/h1-18,29-30H.
What are the key properties of 1,2-dichloro-4-[3-(4-chlorophenyl)-3-[1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enyl]sulfonylprop-1-enyl]benzene?
1,2-dichloro-4-[3-(4-chlorophenyl)-3-[1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enyl]sulfonylprop-1-enyl]benzene has a molecular weight of 657.27 g/mol, XLogP of 11.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[3-(4-chlorophenyl)-3-[1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enyl]sulfonylprop-1-enyl]benzene is sourced from PubChem (CID 173033063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).