(Z)-2-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]sulfanyl-1,3-diphenylprop-2-en-1-one

C30H22O2S — CID 11476367

IUPAC(Z)-2-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]sulfanyl-1,3-diphenylprop-2-en-1-one
SMILESO=C(/C(=C/c1ccccc1)S/C(=C\c1ccccc1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H22O2S/c31-29(25-17-9-3-10-18-25)27(21-23-13-5-1-6-14-23)33-28(22-24-15-7-2-8-16-24)30(32)26-19-11-4-12-20-26/h1-22H/b27-21-,28-22-
InChIKeyYPXAUZRZCYCVSO-ZDSKVHJSSA-N
MW446.57 g/mol
LogP7.57
Rot. Bonds8

About (Z)-2-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]sulfanyl-1,3-diphenylprop-2-en-1-one

(Z)-2-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]sulfanyl-1,3-diphenylprop-2-en-1-one (PubChem CID 11476367) has the molecular formula C30H22O2S and a molecular weight of 446.57 g/mol. Its IUPAC name is (Z)-2-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]sulfanyl-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]sulfanyl-1,3-diphenylprop-2-en-1-one
PubChem CID11476367
Molecular FormulaC30H22O2S
Molecular Weight446.57 g/mol
Exact Mass446.13
IUPAC Name(Z)-2-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]sulfanyl-1,3-diphenylprop-2-en-1-one
SMILESO=C(/C(=C/c1ccccc1)S/C(=C\c1ccccc1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H22O2S/c31-29(25-17-9-3-10-18-25)27(21-23-13-5-1-6-14-23)33-28(22-24-15-7-2-8-16-24)30(32)26-19-11-4-12-20-26/h1-22H/b27-21-,28-22-
InChIKeyYPXAUZRZCYCVSO-ZDSKVHJSSA-N
XLogP7.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.57
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-2-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]sulfanyl-1,3-diphenylprop-2-en-1-one with MolForge

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Related Compounds

bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(E)-3-benzoyl-2-oxo-4-phenylbut-3-enoic acid
CID 9467692
2-benzylidene-1,4-diphenylbut-3-yn-1-one
CID 75059883
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;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368
(2E,4E)-4,5-diphenylpenta-2,4-dienoic acid
CID 56927310
(2E,4Z)-4,5-diphenylpenta-2,4-dienoic acid
CID 56927311
(Z)-2-(bromomethyl)-1,3-diphenylprop-2-en-1-one
CID 5475883
(2Z)-2-benzylidene-4,4,4-trifluoro-1-phenylbutane-1,3-dione
CID 126359991

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]sulfanyl-1,3-diphenylprop-2-en-1-one?
The IUPAC name of (Z)-2-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]sulfanyl-1,3-diphenylprop-2-en-1-one (CID 11476367) is (Z)-2-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]sulfanyl-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (Z)-2-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]sulfanyl-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for (Z)-2-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]sulfanyl-1,3-diphenylprop-2-en-1-one is O=C(/C(=C/c1ccccc1)S/C(=C\c1ccccc1)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-2-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]sulfanyl-1,3-diphenylprop-2-en-1-one?
The InChIKey is YPXAUZRZCYCVSO-ZDSKVHJSSA-N. The full InChI is InChI=1S/C30H22O2S/c31-29(25-17-9-3-10-18-25)27(21-23-13-5-1-6-14-23)33-28(22-24-15-7-2-8-16-24)30(32)26-19-11-4-12-20-26/h1-22H/b27-21-,28-22-.
What are the key properties of (Z)-2-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]sulfanyl-1,3-diphenylprop-2-en-1-one?
(Z)-2-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]sulfanyl-1,3-diphenylprop-2-en-1-one has a molecular weight of 446.57 g/mol, XLogP of 7.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]sulfanyl-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 11476367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).