10-[(2-fluoro-4-pyridinyl)methyl]-10-(pyridin-4-ylmethyl)anthracen-9-one

C26H19FN2O — CID 10644338

IUPAC10-[(2-fluoro-4-pyridinyl)methyl]-10-(pyridin-4-ylmethyl)anthracen-9-one
SMILESO=C1c2ccccc2C(Cc2ccncc2)(Cc2ccnc(F)c2)c2ccccc21
InChIInChI=1S/C26H19FN2O/c27-24-15-19(11-14-29-24)17-26(16-18-9-12-28-13-10-18)22-7-3-1-5-20(22)25(30)21-6-2-4-8-23(21)26/h1-15H,16-17H2
InChIKeyMOSJFJVURUGZBN-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.93
Rot. Bonds4

About 10-[(2-fluoro-4-pyridinyl)methyl]-10-(pyridin-4-ylmethyl)anthracen-9-one

10-[(2-fluoro-4-pyridinyl)methyl]-10-(pyridin-4-ylmethyl)anthracen-9-one (PubChem CID 10644338) has the molecular formula C26H19FN2O and a molecular weight of 394.45 g/mol. Its IUPAC name is 10-[(2-fluoro-4-pyridinyl)methyl]-10-(pyridin-4-ylmethyl)anthracen-9-one.

Molecular Properties

Compound Name10-[(2-fluoro-4-pyridinyl)methyl]-10-(pyridin-4-ylmethyl)anthracen-9-one
PubChem CID10644338
Molecular FormulaC26H19FN2O
Molecular Weight394.45 g/mol
Exact Mass394.15
IUPAC Name10-[(2-fluoro-4-pyridinyl)methyl]-10-(pyridin-4-ylmethyl)anthracen-9-one
SMILESO=C1c2ccccc2C(Cc2ccncc2)(Cc2ccnc(F)c2)c2ccccc21
InChIInChI=1S/C26H19FN2O/c27-24-15-19(11-14-29-24)17-26(16-18-9-12-28-13-10-18)22-7-3-1-5-20(22)25(30)21-6-2-4-8-23(21)26/h1-15H,16-17H2
InChIKeyMOSJFJVURUGZBN-UHFFFAOYSA-N
XLogP4.93
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[(2-fluoro-4-pyridinyl)methyl]-10-(pyridin-4-ylmethyl)anthracen-9-one?
The IUPAC name of 10-[(2-fluoro-4-pyridinyl)methyl]-10-(pyridin-4-ylmethyl)anthracen-9-one (CID 10644338) is 10-[(2-fluoro-4-pyridinyl)methyl]-10-(pyridin-4-ylmethyl)anthracen-9-one.
What is the SMILES notation for 10-[(2-fluoro-4-pyridinyl)methyl]-10-(pyridin-4-ylmethyl)anthracen-9-one?
The canonical SMILES for 10-[(2-fluoro-4-pyridinyl)methyl]-10-(pyridin-4-ylmethyl)anthracen-9-one is O=C1c2ccccc2C(Cc2ccncc2)(Cc2ccnc(F)c2)c2ccccc21.
What is the InChIKey of 10-[(2-fluoro-4-pyridinyl)methyl]-10-(pyridin-4-ylmethyl)anthracen-9-one?
The InChIKey is MOSJFJVURUGZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN2O/c27-24-15-19(11-14-29-24)17-26(16-18-9-12-28-13-10-18)22-7-3-1-5-20(22)25(30)21-6-2-4-8-23(21)26/h1-15H,16-17H2.
What are the key properties of 10-[(2-fluoro-4-pyridinyl)methyl]-10-(pyridin-4-ylmethyl)anthracen-9-one?
10-[(2-fluoro-4-pyridinyl)methyl]-10-(pyridin-4-ylmethyl)anthracen-9-one has a molecular weight of 394.45 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2-fluoro-4-pyridinyl)methyl]-10-(pyridin-4-ylmethyl)anthracen-9-one is sourced from PubChem (CID 10644338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).