1,5-diphenylpenta-1,4-diene-2,4-disulfonic acid

C17H16O6S2 — CID 123152820

IUPAC1,5-diphenylpenta-1,4-diene-2,4-disulfonic acid
SMILESO=S(=O)(O)C(=Cc1ccccc1)CC(=Cc1ccccc1)S(=O)(=O)O
InChIInChI=1S/C17H16O6S2/c18-24(19,20)16(11-14-7-3-1-4-8-14)13-17(25(21,22)23)12-15-9-5-2-6-10-15/h1-12H,13H2,(H,18,19,20)(H,21,22,23)
InChIKeyWRWJHFMOUCMUAD-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.23
Rot. Bonds6

About 1,5-diphenylpenta-1,4-diene-2,4-disulfonic acid

1,5-diphenylpenta-1,4-diene-2,4-disulfonic acid (PubChem CID 123152820) has the molecular formula C17H16O6S2 and a molecular weight of 380.44 g/mol. Its IUPAC name is 1,5-diphenylpenta-1,4-diene-2,4-disulfonic acid.

Molecular Properties

Compound Name1,5-diphenylpenta-1,4-diene-2,4-disulfonic acid
PubChem CID123152820
Molecular FormulaC17H16O6S2
Molecular Weight380.44 g/mol
Exact Mass380.04
IUPAC Name1,5-diphenylpenta-1,4-diene-2,4-disulfonic acid
SMILESO=S(=O)(O)C(=Cc1ccccc1)CC(=Cc1ccccc1)S(=O)(=O)O
InChIInChI=1S/C17H16O6S2/c18-24(19,20)16(11-14-7-3-1-4-8-14)13-17(25(21,22)23)12-15-9-5-2-6-10-15/h1-12H,13H2,(H,18,19,20)(H,21,22,23)
InChIKeyWRWJHFMOUCMUAD-UHFFFAOYSA-N
XLogP3.23
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

CID 172794141
CID 172794141
3-oxo-1-phenylprop-1-ene-2-sulfonic acid
CID 87126626
2,3-diphenylprop-2-enylsulfamic acid
CID 174655398
CID 175911579
CID 175911579
2-hydroxy-3-phenylprop-2-enoic acid;sulfuric acid
CID 159269897
2-phenyl-1-[4-[4-(2-phenyl-1-sulfoethenyl)phenyl]phenyl]ethenesulfonic acid
CID 54085453
stilbene;sulfuric acid
CID 67612140
3-oxo-3-(pentylamino)-1-phenylprop-1-ene-2-sulfonic acid
CID 174538982
calcium 2-phenylethene-1,1-disulfonate
CID 126569177
2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one
CID 66616036
2-chloro-N-(ethylsulfonylmethyl)-3-phenylprop-2-enamide
CID 88653482
[(Z)-2-(benzenesulfonyl)prop-1-enyl]benzene
CID 5382420

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenylpenta-1,4-diene-2,4-disulfonic acid?
The IUPAC name of 1,5-diphenylpenta-1,4-diene-2,4-disulfonic acid (CID 123152820) is 1,5-diphenylpenta-1,4-diene-2,4-disulfonic acid.
What is the SMILES notation for 1,5-diphenylpenta-1,4-diene-2,4-disulfonic acid?
The canonical SMILES for 1,5-diphenylpenta-1,4-diene-2,4-disulfonic acid is O=S(=O)(O)C(=Cc1ccccc1)CC(=Cc1ccccc1)S(=O)(=O)O.
What is the InChIKey of 1,5-diphenylpenta-1,4-diene-2,4-disulfonic acid?
The InChIKey is WRWJHFMOUCMUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O6S2/c18-24(19,20)16(11-14-7-3-1-4-8-14)13-17(25(21,22)23)12-15-9-5-2-6-10-15/h1-12H,13H2,(H,18,19,20)(H,21,22,23).
What are the key properties of 1,5-diphenylpenta-1,4-diene-2,4-disulfonic acid?
1,5-diphenylpenta-1,4-diene-2,4-disulfonic acid has a molecular weight of 380.44 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenylpenta-1,4-diene-2,4-disulfonic acid is sourced from PubChem (CID 123152820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).