5-(dinaphthalen-2-ylmethylidene)furan-2-one

C25H16O2 — CID 58369806

IUPAC5-(dinaphthalen-2-ylmethylidene)furan-2-one
SMILESO=C1C=CC(=C(c2ccc3ccccc3c2)c2ccc3ccccc3c2)O1
InChIInChI=1S/C25H16O2/c26-24-14-13-23(27-24)25(21-11-9-17-5-1-3-7-19(17)15-21)22-12-10-18-6-2-4-8-20(18)16-22/h1-16H
InChIKeyMPQRYAIYRKPHHP-UHFFFAOYSA-N
MW348.40 g/mol
LogP5.87
Rot. Bonds2

About 5-(dinaphthalen-2-ylmethylidene)furan-2-one

5-(dinaphthalen-2-ylmethylidene)furan-2-one (PubChem CID 58369806) has the molecular formula C25H16O2 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-(dinaphthalen-2-ylmethylidene)furan-2-one.

Molecular Properties

Compound Name5-(dinaphthalen-2-ylmethylidene)furan-2-one
PubChem CID58369806
Molecular FormulaC25H16O2
Molecular Weight348.40 g/mol
Exact Mass348.12
IUPAC Name5-(dinaphthalen-2-ylmethylidene)furan-2-one
SMILESO=C1C=CC(=C(c2ccc3ccccc3c2)c2ccc3ccccc3c2)O1
InChIInChI=1S/C25H16O2/c26-24-14-13-23(27-24)25(21-11-9-17-5-1-3-7-19(17)15-21)22-12-10-18-6-2-4-8-20(18)16-22/h1-16H
InChIKeyMPQRYAIYRKPHHP-UHFFFAOYSA-N
XLogP5.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.40
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(dinaphthalen-2-ylmethylidene)furan-2-one?
The IUPAC name of 5-(dinaphthalen-2-ylmethylidene)furan-2-one (CID 58369806) is 5-(dinaphthalen-2-ylmethylidene)furan-2-one.
What is the SMILES notation for 5-(dinaphthalen-2-ylmethylidene)furan-2-one?
The canonical SMILES for 5-(dinaphthalen-2-ylmethylidene)furan-2-one is O=C1C=CC(=C(c2ccc3ccccc3c2)c2ccc3ccccc3c2)O1.
What is the InChIKey of 5-(dinaphthalen-2-ylmethylidene)furan-2-one?
The InChIKey is MPQRYAIYRKPHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16O2/c26-24-14-13-23(27-24)25(21-11-9-17-5-1-3-7-19(17)15-21)22-12-10-18-6-2-4-8-20(18)16-22/h1-16H.
What are the key properties of 5-(dinaphthalen-2-ylmethylidene)furan-2-one?
5-(dinaphthalen-2-ylmethylidene)furan-2-one has a molecular weight of 348.40 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dinaphthalen-2-ylmethylidene)furan-2-one is sourced from PubChem (CID 58369806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).