(3E)-4-benzoyl-3-(4-benzoyl-2-oxo-5-phenylfuran-3-ylidene)-5-phenylfuran-2-one

C34H20O6 — CID 9498278

IUPAC(3E)-4-benzoyl-3-(4-benzoyl-2-oxo-5-phenylfuran-3-ylidene)-5-phenylfuran-2-one
SMILESO=C1OC(c2ccccc2)=C(C(=O)c2ccccc2)/C1=C1\C(=O)OC(c2ccccc2)=C1C(=O)c1ccccc1
InChIInChI=1S/C34H20O6/c35-29(21-13-5-1-6-14-21)27-25(33(37)39-31(27)23-17-9-3-10-18-23)26-28(30(36)22-15-7-2-8-16-22)32(40-34(26)38)24-19-11-4-12-20-24/h1-20H/b26-25+
InChIKeyFSVWIVVAKVCZLI-OCEACIFDSA-N
MW524.53 g/mol
LogP5.99
Rot. Bonds6

About (3E)-4-benzoyl-3-(4-benzoyl-2-oxo-5-phenylfuran-3-ylidene)-5-phenylfuran-2-one

(3E)-4-benzoyl-3-(4-benzoyl-2-oxo-5-phenylfuran-3-ylidene)-5-phenylfuran-2-one (PubChem CID 9498278) has the molecular formula C34H20O6 and a molecular weight of 524.53 g/mol. Its IUPAC name is (3E)-4-benzoyl-3-(4-benzoyl-2-oxo-5-phenylfuran-3-ylidene)-5-phenylfuran-2-one.

Molecular Properties

Compound Name(3E)-4-benzoyl-3-(4-benzoyl-2-oxo-5-phenylfuran-3-ylidene)-5-phenylfuran-2-one
PubChem CID9498278
Molecular FormulaC34H20O6
Molecular Weight524.53 g/mol
Exact Mass524.13
IUPAC Name(3E)-4-benzoyl-3-(4-benzoyl-2-oxo-5-phenylfuran-3-ylidene)-5-phenylfuran-2-one
SMILESO=C1OC(c2ccccc2)=C(C(=O)c2ccccc2)/C1=C1\C(=O)OC(c2ccccc2)=C1C(=O)c1ccccc1
InChIInChI=1S/C34H20O6/c35-29(21-13-5-1-6-14-21)27-25(33(37)39-31(27)23-17-9-3-10-18-23)26-28(30(36)22-15-7-2-8-16-22)32(40-34(26)38)24-19-11-4-12-20-24/h1-20H/b26-25+
InChIKeyFSVWIVVAKVCZLI-OCEACIFDSA-N
XLogP5.99
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.53
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

4-benzoyl-5-phenyl(2,3-13C2)furan-2,3-dione
CID 11680721
5-benzoyl-6-(4-bromophenyl)-3-phenyliminopyran-2,4-dione
CID 9498320
diphenylmethanone
CID 3102
2-benzoyl-3-phenylcyclopent-2-en-1-one
CID 15207511
phenyl-(4-phenylphenyl)methanone
CID 155775877
(2-methylidene-5-phenyl-3H-furan-4-yl)-phenylmethanone
CID 10467875
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
phenyl-(2-tritiophenyl)methanone
CID 54288877
2-benzoyl-3-phenylcyclohex-2-en-1-one
CID 102055351

Frequently Asked Questions

What is the IUPAC name of (3E)-4-benzoyl-3-(4-benzoyl-2-oxo-5-phenylfuran-3-ylidene)-5-phenylfuran-2-one?
The IUPAC name of (3E)-4-benzoyl-3-(4-benzoyl-2-oxo-5-phenylfuran-3-ylidene)-5-phenylfuran-2-one (CID 9498278) is (3E)-4-benzoyl-3-(4-benzoyl-2-oxo-5-phenylfuran-3-ylidene)-5-phenylfuran-2-one.
What is the SMILES notation for (3E)-4-benzoyl-3-(4-benzoyl-2-oxo-5-phenylfuran-3-ylidene)-5-phenylfuran-2-one?
The canonical SMILES for (3E)-4-benzoyl-3-(4-benzoyl-2-oxo-5-phenylfuran-3-ylidene)-5-phenylfuran-2-one is O=C1OC(c2ccccc2)=C(C(=O)c2ccccc2)/C1=C1\C(=O)OC(c2ccccc2)=C1C(=O)c1ccccc1.
What is the InChIKey of (3E)-4-benzoyl-3-(4-benzoyl-2-oxo-5-phenylfuran-3-ylidene)-5-phenylfuran-2-one?
The InChIKey is FSVWIVVAKVCZLI-OCEACIFDSA-N. The full InChI is InChI=1S/C34H20O6/c35-29(21-13-5-1-6-14-21)27-25(33(37)39-31(27)23-17-9-3-10-18-23)26-28(30(36)22-15-7-2-8-16-22)32(40-34(26)38)24-19-11-4-12-20-24/h1-20H/b26-25+.
What are the key properties of (3E)-4-benzoyl-3-(4-benzoyl-2-oxo-5-phenylfuran-3-ylidene)-5-phenylfuran-2-one?
(3E)-4-benzoyl-3-(4-benzoyl-2-oxo-5-phenylfuran-3-ylidene)-5-phenylfuran-2-one has a molecular weight of 524.53 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-benzoyl-3-(4-benzoyl-2-oxo-5-phenylfuran-3-ylidene)-5-phenylfuran-2-one is sourced from PubChem (CID 9498278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).