(3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one

C28H18O4 — CID 11984182

IUPAC(3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one
SMILESO=C1OC(c2ccccc2)=C/C1=C/c1ccc(/C=C2/C=C(c3ccccc3)OC2=O)cc1
InChIInChI=1S/C28H18O4/c29-27-23(17-25(31-27)21-7-3-1-4-8-21)15-19-11-13-20(14-12-19)16-24-18-26(32-28(24)30)22-9-5-2-6-10-22/h1-18H/b23-15-,24-16-
InChIKeyGRDIBTZHUDLRID-MPKYGIEOSA-N
MW418.45 g/mol
LogP5.65
Rot. Bonds4

About (3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one

(3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one (PubChem CID 11984182) has the molecular formula C28H18O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is (3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one.

Molecular Properties

Compound Name(3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one
PubChem CID11984182
Molecular FormulaC28H18O4
Molecular Weight418.45 g/mol
Exact Mass418.12
IUPAC Name(3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one
SMILESO=C1OC(c2ccccc2)=C/C1=C/c1ccc(/C=C2/C=C(c3ccccc3)OC2=O)cc1
InChIInChI=1S/C28H18O4/c29-27-23(17-25(31-27)21-7-3-1-4-8-21)15-19-11-13-20(14-12-19)16-24-18-26(32-28(24)30)22-9-5-2-6-10-22/h1-18H/b23-15-,24-16-
InChIKeyGRDIBTZHUDLRID-MPKYGIEOSA-N
XLogP5.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.45
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one with MolForge

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Related Compounds

(3E)-3-[(4-fluorophenyl)methylidene]-5-phenylfuran-2-one
CID 5394659
3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 3120319
(3E)-3-[(4-ethoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 785278
3-[(4-nitrophenyl)methylidene]-5-(4-phenylphenyl)furan-2-one
CID 2936939
5-phenyl-3-[(4-phenylmethoxyphenyl)methylidene]furan-2-one
CID 3664986
methyl 4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]benzoate
CID 94845332
(3Z)-3-[(4-butoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 2277451
5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316
(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-5-(4-phenylphenyl)furan-2-one
CID 10861529
(3Z)-3-[(2-hydroxyphenyl)methylidene]-5-phenylfuran-2-one
CID 6272528
3-[N-(2-cyanoethyl)-4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]anilino]propanenitrile
CID 6391917
(3E)-3-[(3-phenoxyphenyl)methylidene]-5-phenylfuran-2-one
CID 15483513

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one?
The IUPAC name of (3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one (CID 11984182) is (3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one.
What is the SMILES notation for (3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one?
The canonical SMILES for (3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one is O=C1OC(c2ccccc2)=C/C1=C/c1ccc(/C=C2/C=C(c3ccccc3)OC2=O)cc1.
What is the InChIKey of (3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one?
The InChIKey is GRDIBTZHUDLRID-MPKYGIEOSA-N. The full InChI is InChI=1S/C28H18O4/c29-27-23(17-25(31-27)21-7-3-1-4-8-21)15-19-11-13-20(14-12-19)16-24-18-26(32-28(24)30)22-9-5-2-6-10-22/h1-18H/b23-15-,24-16-.
What are the key properties of (3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one?
(3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one has a molecular weight of 418.45 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]phenyl]methylidene]-5-phenylfuran-2-one is sourced from PubChem (CID 11984182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).