2-[2-(5-phenylfuran-2-yl)ethenyl]anthracene-9,10-dione

C26H16O3 — CID 3292612

IUPAC2-[2-(5-phenylfuran-2-yl)ethenyl]anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2cc(C=Cc3ccc(-c4ccccc4)o3)ccc21
InChIInChI=1S/C26H16O3/c27-25-20-8-4-5-9-21(20)26(28)23-16-17(11-14-22(23)25)10-12-19-13-15-24(29-19)18-6-2-1-3-7-18/h1-16H
InChIKeyZWJVWTMBAFMMBH-UHFFFAOYSA-N
MW376.41 g/mol
LogP5.89
Rot. Bonds3

About 2-[2-(5-phenylfuran-2-yl)ethenyl]anthracene-9,10-dione

2-[2-(5-phenylfuran-2-yl)ethenyl]anthracene-9,10-dione (PubChem CID 3292612) has the molecular formula C26H16O3 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-[2-(5-phenylfuran-2-yl)ethenyl]anthracene-9,10-dione.

Molecular Properties

Compound Name2-[2-(5-phenylfuran-2-yl)ethenyl]anthracene-9,10-dione
PubChem CID3292612
Molecular FormulaC26H16O3
Molecular Weight376.41 g/mol
Exact Mass376.11
IUPAC Name2-[2-(5-phenylfuran-2-yl)ethenyl]anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2cc(C=Cc3ccc(-c4ccccc4)o3)ccc21
InChIInChI=1S/C26H16O3/c27-25-20-8-4-5-9-21(20)26(28)23-16-17(11-14-22(23)25)10-12-19-13-15-24(29-19)18-6-2-1-3-7-18/h1-16H
InChIKeyZWJVWTMBAFMMBH-UHFFFAOYSA-N
XLogP5.89
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.41
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-5-[(Z)-2-(5-phenylfuran-2-yl)ethenyl]furan
CID 11381399
2-[2-(4-aminophenyl)ethenyl]anthracene-9,10-dione
CID 175395757
2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9,10-dione
CID 15152091
2-[2-(2-hydroxyphenyl)ethenyl]anthracene-9,10-dione
CID 175395708
[2-nitro-5-[2-(5-phenylfuran-2-yl)ethenyl]phenyl]-phenylmethanone
CID 146306172
(E)-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 836337
4-[2-[5-(4-aminophenyl)furan-2-yl]ethenyl]aniline
CID 154398154
2-[5-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]anthracene-9,10-dione
CID 21214291
2-[(E)-2-(2-nitrophenyl)ethenyl]anthracene-9,10-dione
CID 175395824
2-(4-aminobut-1-enyl)fluoren-9-one
CID 170487895
2-(4-sulfanylbut-1-enyl)fluoren-9-one
CID 170479323
2-(4-hydroxybut-1-enyl)fluoren-9-one
CID 170477537

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-phenylfuran-2-yl)ethenyl]anthracene-9,10-dione?
The IUPAC name of 2-[2-(5-phenylfuran-2-yl)ethenyl]anthracene-9,10-dione (CID 3292612) is 2-[2-(5-phenylfuran-2-yl)ethenyl]anthracene-9,10-dione.
What is the SMILES notation for 2-[2-(5-phenylfuran-2-yl)ethenyl]anthracene-9,10-dione?
The canonical SMILES for 2-[2-(5-phenylfuran-2-yl)ethenyl]anthracene-9,10-dione is O=C1c2ccccc2C(=O)c2cc(C=Cc3ccc(-c4ccccc4)o3)ccc21.
What is the InChIKey of 2-[2-(5-phenylfuran-2-yl)ethenyl]anthracene-9,10-dione?
The InChIKey is ZWJVWTMBAFMMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16O3/c27-25-20-8-4-5-9-21(20)26(28)23-16-17(11-14-22(23)25)10-12-19-13-15-24(29-19)18-6-2-1-3-7-18/h1-16H.
What are the key properties of 2-[2-(5-phenylfuran-2-yl)ethenyl]anthracene-9,10-dione?
2-[2-(5-phenylfuran-2-yl)ethenyl]anthracene-9,10-dione has a molecular weight of 376.41 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-phenylfuran-2-yl)ethenyl]anthracene-9,10-dione is sourced from PubChem (CID 3292612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).