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

C36H36Cl2O8S — CID 68558076

IUPAC2-[(E)-3-(4-chlorophenyl)-3-[(E)-1-(4-chlorophenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonylprop-1-enyl]-1,3,5-trimethoxybenzene
SMILESCOc1cc(OC)c(/C=C/C(c2ccc(Cl)cc2)S(=O)(=O)C(/C=C/c2c(OC)cc(OC)cc2OC)c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C36H36Cl2O8S/c1-41-27-19-31(43-3)29(32(20-27)44-4)15-17-35(23-7-11-25(37)12-8-23)47(39,40)36(24-9-13-26(38)14-10-24)18-16-30-33(45-5)21-28(42-2)22-34(30)46-6/h7-22,35-36H,1-6H3/b17-15+,18-16+
InChIKeyCIKNXJIJNQDEML-YTEMWHBBSA-N
MW699.65 g/mol
LogP8.67
Rot. Bonds14

About 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

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 (PubChem CID 68558076) has the molecular formula C36H36Cl2O8S and a molecular weight of 699.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(E)-3-(4-chlorophenyl)-3-[(E)-1-(4-chlorophenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonylprop-1-enyl]-1,3,5-trimethoxybenzene
PubChem CID68558076
Molecular FormulaC36H36Cl2O8S
Molecular Weight699.65 g/mol
Exact Mass698.15
IUPAC Name2-[(E)-3-(4-chlorophenyl)-3-[(E)-1-(4-chlorophenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonylprop-1-enyl]-1,3,5-trimethoxybenzene
SMILESCOc1cc(OC)c(/C=C/C(c2ccc(Cl)cc2)S(=O)(=O)C(/C=C/c2c(OC)cc(OC)cc2OC)c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C36H36Cl2O8S/c1-41-27-19-31(43-3)29(32(20-27)44-4)15-17-35(23-7-11-25(37)12-8-23)47(39,40)36(24-9-13-26(38)14-10-24)18-16-30-33(45-5)21-28(42-2)22-34(30)46-6/h7-22,35-36H,1-6H3/b17-15+,18-16+
InChIKeyCIKNXJIJNQDEML-YTEMWHBBSA-N
XLogP8.67
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.65
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-chloro-4-[3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 66937867
1,3,5-trimethoxy-2-[3-(4-methoxy-3-nitrophenyl)-3-[1-(4-methoxy-3-nitrophenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonylprop-1-enyl]benzene
CID 142801189
1-[3-[3-(3,5-dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-3,5-dimethoxybenzene
CID 68531173
1,1,1-trifluoro-N-[2-methoxy-5-[1-[1-[4-methoxy-3-(trifluoromethylsulfonylamino)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonyl-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]phenyl]methanesulfonamide
CID 173031277
2-[3-[3-(2-amino-5-chlorophenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-4-chloroaniline
CID 68535729
4-amino-N-[5-[1-[1-[3-[(4-aminobenzoyl)amino]-4-methoxyphenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonyl-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]-2-methoxyphenyl]benzamide
CID 173031234
2,2,3,3,3-pentafluoro-N-[2-methoxy-5-[1-[1-[4-methoxy-3-(2,2,3,3,3-pentafluoropropanoylamino)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonyl-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]phenyl]propanamide
CID 173031236
2-[5-[1-[1-[3-(carboxymethylamino)-4-ethoxyphenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonyl-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]-2-ethoxyanilino]acetic acid
CID 69090827
N-[2-methoxy-5-[1-[1-[4-methoxy-3-[(2-pyridin-1-ium-1-ylacetyl)amino]phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]sulfonyl-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]phenyl]-2-pyridin-1-ium-1-ylacetamide
CID 173031252
1,2-dichloro-4-[3-(4-chlorophenyl)-3-[1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enyl]sulfonylprop-1-enyl]benzene
CID 173033063
1-[(E)-3-[(E)-3-(2,4-dimethoxy-3-methylphenyl)-1-(4-methoxyphenyl)prop-2-enyl]sulfonyl-3-(4-methoxyphenyl)prop-1-enyl]-2,4-dimethoxy-3-methylbenzene
CID 87210915
2-[(4-chlorophenyl)-(4-methylphenyl)sulfonylmethyl]-1,3,5-trimethoxybenzene
CID 154721045

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(OC)c(/C=C/C(c2ccc(Cl)cc2)S(=O)(=O)C(/C=C/c2c(OC)cc(OC)cc2OC)c2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of 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?
The InChIKey is CIKNXJIJNQDEML-YTEMWHBBSA-N. The full InChI is InChI=1S/C36H36Cl2O8S/c1-41-27-19-31(43-3)29(32(20-27)44-4)15-17-35(23-7-11-25(37)12-8-23)47(39,40)36(24-9-13-26(38)14-10-24)18-16-30-33(45-5)21-28(42-2)22-34(30)46-6/h7-22,35-36H,1-6H3/b17-15+,18-16+.
What are the key properties of 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?
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 has a molecular weight of 699.65 g/mol, XLogP of 8.67, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 68558076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).