1-methyl-4-(1,3,3-triphenylprop-2-enylsulfonyl)benzene

C28H24O2S — CID 19869938

IUPAC1-methyl-4-(1,3,3-triphenylprop-2-enylsulfonyl)benzene
SMILESCc1ccc(S(=O)(=O)C(C=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24O2S/c1-22-17-19-26(20-18-22)31(29,30)28(25-15-9-4-10-16-25)21-27(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-21,28H,1H3
InChIKeyMDJHHHNVKINVLF-UHFFFAOYSA-N
MW424.57 g/mol
LogP6.64
Rot. Bonds6

About 1-methyl-4-(1,3,3-triphenylprop-2-enylsulfonyl)benzene

1-methyl-4-(1,3,3-triphenylprop-2-enylsulfonyl)benzene (PubChem CID 19869938) has the molecular formula C28H24O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is 1-methyl-4-(1,3,3-triphenylprop-2-enylsulfonyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(1,3,3-triphenylprop-2-enylsulfonyl)benzene
PubChem CID19869938
Molecular FormulaC28H24O2S
Molecular Weight424.57 g/mol
Exact Mass424.15
IUPAC Name1-methyl-4-(1,3,3-triphenylprop-2-enylsulfonyl)benzene
SMILESCc1ccc(S(=O)(=O)C(C=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24O2S/c1-22-17-19-26(20-18-22)31(29,30)28(25-15-9-4-10-16-25)21-27(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-21,28H,1H3
InChIKeyMDJHHHNVKINVLF-UHFFFAOYSA-N
XLogP6.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.57
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,3,3-triphenylprop-2-enylsulfonyl)benzene?
The IUPAC name of 1-methyl-4-(1,3,3-triphenylprop-2-enylsulfonyl)benzene (CID 19869938) is 1-methyl-4-(1,3,3-triphenylprop-2-enylsulfonyl)benzene.
What is the SMILES notation for 1-methyl-4-(1,3,3-triphenylprop-2-enylsulfonyl)benzene?
The canonical SMILES for 1-methyl-4-(1,3,3-triphenylprop-2-enylsulfonyl)benzene is Cc1ccc(S(=O)(=O)C(C=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-(1,3,3-triphenylprop-2-enylsulfonyl)benzene?
The InChIKey is MDJHHHNVKINVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O2S/c1-22-17-19-26(20-18-22)31(29,30)28(25-15-9-4-10-16-25)21-27(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-21,28H,1H3.
What are the key properties of 1-methyl-4-(1,3,3-triphenylprop-2-enylsulfonyl)benzene?
1-methyl-4-(1,3,3-triphenylprop-2-enylsulfonyl)benzene has a molecular weight of 424.57 g/mol, XLogP of 6.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,3,3-triphenylprop-2-enylsulfonyl)benzene is sourced from PubChem (CID 19869938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).