(2E)-1,2-diphenyl-2-(2-phenylchromen-4-ylidene)ethanone

C29H20O2 — CID 134868144

IUPAC(2E)-1,2-diphenyl-2-(2-phenylchromen-4-ylidene)ethanone
SMILESO=C(/C(=C1\C=C(c2ccccc2)Oc2ccccc21)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H20O2/c30-29(23-16-8-3-9-17-23)28(22-14-6-2-7-15-22)25-20-27(21-12-4-1-5-13-21)31-26-19-11-10-18-24(25)26/h1-20H/b28-25+
InChIKeyULZJERXYXQHWPA-AZPGRJICSA-N
MW400.48 g/mol
LogP6.91
Rot. Bonds4

About (2E)-1,2-diphenyl-2-(2-phenylchromen-4-ylidene)ethanone

(2E)-1,2-diphenyl-2-(2-phenylchromen-4-ylidene)ethanone (PubChem CID 134868144) has the molecular formula C29H20O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is (2E)-1,2-diphenyl-2-(2-phenylchromen-4-ylidene)ethanone.

Molecular Properties

Compound Name(2E)-1,2-diphenyl-2-(2-phenylchromen-4-ylidene)ethanone
PubChem CID134868144
Molecular FormulaC29H20O2
Molecular Weight400.48 g/mol
Exact Mass400.15
IUPAC Name(2E)-1,2-diphenyl-2-(2-phenylchromen-4-ylidene)ethanone
SMILESO=C(/C(=C1\C=C(c2ccccc2)Oc2ccccc21)c1ccccc1)c1ccccc1
InChIInChI=1S/C29H20O2/c30-29(23-16-8-3-9-17-23)28(22-14-6-2-7-15-22)25-20-27(21-12-4-1-5-13-21)31-26-19-11-10-18-24(25)26/h1-20H/b28-25+
InChIKeyULZJERXYXQHWPA-AZPGRJICSA-N
XLogP6.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-(7-methoxy-2-phenylchromen-4-ylidene)-1,2-diphenylethanone
CID 134868316
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368
(4Z)-4-[(2,6-dimethylpyrylium-4-yl)methylidene]-2-phenylchromene
CID 137292692
methyl 2-cyano-2-(6-hydroxy-2-phenylchromen-4-ylidene)acetate
CID 3291845
1,2-diphenylethane-1,2-dione;phenanthrene-9,10-dione
CID 175371588
1,2-diphenylethane-1,2-dione;methane;1,1,2,2-tetrachloroethene
CID 88738435
CID 102252121
CID 102252121

Frequently Asked Questions

What is the IUPAC name of (2E)-1,2-diphenyl-2-(2-phenylchromen-4-ylidene)ethanone?
The IUPAC name of (2E)-1,2-diphenyl-2-(2-phenylchromen-4-ylidene)ethanone (CID 134868144) is (2E)-1,2-diphenyl-2-(2-phenylchromen-4-ylidene)ethanone.
What is the SMILES notation for (2E)-1,2-diphenyl-2-(2-phenylchromen-4-ylidene)ethanone?
The canonical SMILES for (2E)-1,2-diphenyl-2-(2-phenylchromen-4-ylidene)ethanone is O=C(/C(=C1\C=C(c2ccccc2)Oc2ccccc21)c1ccccc1)c1ccccc1.
What is the InChIKey of (2E)-1,2-diphenyl-2-(2-phenylchromen-4-ylidene)ethanone?
The InChIKey is ULZJERXYXQHWPA-AZPGRJICSA-N. The full InChI is InChI=1S/C29H20O2/c30-29(23-16-8-3-9-17-23)28(22-14-6-2-7-15-22)25-20-27(21-12-4-1-5-13-21)31-26-19-11-10-18-24(25)26/h1-20H/b28-25+.
What are the key properties of (2E)-1,2-diphenyl-2-(2-phenylchromen-4-ylidene)ethanone?
(2E)-1,2-diphenyl-2-(2-phenylchromen-4-ylidene)ethanone has a molecular weight of 400.48 g/mol, XLogP of 6.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1,2-diphenyl-2-(2-phenylchromen-4-ylidene)ethanone is sourced from PubChem (CID 134868144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).