(3E)-3-(dibenzofuran-2-ylmethylidene)benzo[h]chromen-4-one

C26H16O3 — CID 71457786

IUPAC(3E)-3-(dibenzofuran-2-ylmethylidene)benzo[h]chromen-4-one
SMILESO=C1/C(=C/c2ccc3oc4ccccc4c3c2)COc2c1ccc1ccccc21
InChIInChI=1S/C26H16O3/c27-25-18(15-28-26-19-6-2-1-5-17(19)10-11-21(25)26)13-16-9-12-24-22(14-16)20-7-3-4-8-23(20)29-24/h1-14H,15H2/b18-13+
InChIKeyDTFSWBNWMHUZET-QGOAFFKASA-N
MW376.41 g/mol
LogP6.40
Rot. Bonds1

About (3E)-3-(dibenzofuran-2-ylmethylidene)benzo[h]chromen-4-one

(3E)-3-(dibenzofuran-2-ylmethylidene)benzo[h]chromen-4-one (PubChem CID 71457786) has the molecular formula C26H16O3 and a molecular weight of 376.41 g/mol. Its IUPAC name is (3E)-3-(dibenzofuran-2-ylmethylidene)benzo[h]chromen-4-one.

Molecular Properties

Compound Name(3E)-3-(dibenzofuran-2-ylmethylidene)benzo[h]chromen-4-one
PubChem CID71457786
Molecular FormulaC26H16O3
Molecular Weight376.41 g/mol
Exact Mass376.11
IUPAC Name(3E)-3-(dibenzofuran-2-ylmethylidene)benzo[h]chromen-4-one
SMILESO=C1/C(=C/c2ccc3oc4ccccc4c3c2)COc2c1ccc1ccccc21
InChIInChI=1S/C26H16O3/c27-25-18(15-28-26-19-6-2-1-5-17(19)10-11-21(25)26)13-16-9-12-24-22(14-16)20-7-3-4-8-23(20)29-24/h1-14H,15H2/b18-13+
InChIKeyDTFSWBNWMHUZET-QGOAFFKASA-N
XLogP6.40
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.41
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(dibenzofuran-2-ylmethylidene)benzo[h]chromen-4-one?
The IUPAC name of (3E)-3-(dibenzofuran-2-ylmethylidene)benzo[h]chromen-4-one (CID 71457786) is (3E)-3-(dibenzofuran-2-ylmethylidene)benzo[h]chromen-4-one.
What is the SMILES notation for (3E)-3-(dibenzofuran-2-ylmethylidene)benzo[h]chromen-4-one?
The canonical SMILES for (3E)-3-(dibenzofuran-2-ylmethylidene)benzo[h]chromen-4-one is O=C1/C(=C/c2ccc3oc4ccccc4c3c2)COc2c1ccc1ccccc21.
What is the InChIKey of (3E)-3-(dibenzofuran-2-ylmethylidene)benzo[h]chromen-4-one?
The InChIKey is DTFSWBNWMHUZET-QGOAFFKASA-N. The full InChI is InChI=1S/C26H16O3/c27-25-18(15-28-26-19-6-2-1-5-17(19)10-11-21(25)26)13-16-9-12-24-22(14-16)20-7-3-4-8-23(20)29-24/h1-14H,15H2/b18-13+.
What are the key properties of (3E)-3-(dibenzofuran-2-ylmethylidene)benzo[h]chromen-4-one?
(3E)-3-(dibenzofuran-2-ylmethylidene)benzo[h]chromen-4-one has a molecular weight of 376.41 g/mol, XLogP of 6.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(dibenzofuran-2-ylmethylidene)benzo[h]chromen-4-one is sourced from PubChem (CID 71457786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).