(Z)-1,2,4-triphenylbut-2-ene-1,4-dione

C22H16O2 — CID 5369696

IUPAC(Z)-1,2,4-triphenylbut-2-ene-1,4-dione
SMILESO=C(/C=C(\C(=O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H16O2/c23-21(18-12-6-2-7-13-18)16-20(17-10-4-1-5-11-17)22(24)19-14-8-3-9-15-19/h1-16H/b20-16-
InChIKeyMEBZZSFHCRISAQ-SILNSSARSA-N
MW312.37 g/mol
LogP4.84
Rot. Bonds5

About (Z)-1,2,4-triphenylbut-2-ene-1,4-dione

(Z)-1,2,4-triphenylbut-2-ene-1,4-dione (PubChem CID 5369696) has the molecular formula C22H16O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (Z)-1,2,4-triphenylbut-2-ene-1,4-dione.

Molecular Properties

Compound Name(Z)-1,2,4-triphenylbut-2-ene-1,4-dione
PubChem CID5369696
Molecular FormulaC22H16O2
Molecular Weight312.37 g/mol
Exact Mass312.12
IUPAC Name(Z)-1,2,4-triphenylbut-2-ene-1,4-dione
SMILESO=C(/C=C(\C(=O)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H16O2/c23-21(18-12-6-2-7-13-18)16-20(17-10-4-1-5-11-17)22(24)19-14-8-3-9-15-19/h1-16H/b20-16-
InChIKeyMEBZZSFHCRISAQ-SILNSSARSA-N
XLogP4.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z,4Z,6Z,8Z)-1,3,4,7,8,10-hexakis-phenyldeca-2,4,6,8-tetraene-1,10-dione
CID 139037325
(Z)-4-(3,4-dimethylphenyl)-1,2-diphenylbut-2-ene-1,4-dione
CID 6271655
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc
CID 5369713
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);titanium;dihydrate
CID 6477791
3-hydroxy-1-phenylbut-2-en-1-one;bis((E)-3-hydroxy-1-phenylbut-2-en-1-one);iron
CID 135504737
(Z)-3-amino-1,3-diphenylprop-2-en-1-one
CID 5376383

Frequently Asked Questions

What is the IUPAC name of (Z)-1,2,4-triphenylbut-2-ene-1,4-dione?
The IUPAC name of (Z)-1,2,4-triphenylbut-2-ene-1,4-dione (CID 5369696) is (Z)-1,2,4-triphenylbut-2-ene-1,4-dione.
What is the SMILES notation for (Z)-1,2,4-triphenylbut-2-ene-1,4-dione?
The canonical SMILES for (Z)-1,2,4-triphenylbut-2-ene-1,4-dione is O=C(/C=C(\C(=O)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-1,2,4-triphenylbut-2-ene-1,4-dione?
The InChIKey is MEBZZSFHCRISAQ-SILNSSARSA-N. The full InChI is InChI=1S/C22H16O2/c23-21(18-12-6-2-7-13-18)16-20(17-10-4-1-5-11-17)22(24)19-14-8-3-9-15-19/h1-16H/b20-16-.
What are the key properties of (Z)-1,2,4-triphenylbut-2-ene-1,4-dione?
(Z)-1,2,4-triphenylbut-2-ene-1,4-dione has a molecular weight of 312.37 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,2,4-triphenylbut-2-ene-1,4-dione is sourced from PubChem (CID 5369696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).