10,10-bis[2-(2-fluoro-4-pyridinyl)ethyl]anthracen-9-one

C28H22F2N2O — CID 70266316

IUPAC10,10-bis[2-(2-fluoro-4-pyridinyl)ethyl]anthracen-9-one
SMILESO=C1c2ccccc2C(CCc2ccnc(F)c2)(CCc2ccnc(F)c2)c2ccccc21
InChIInChI=1S/C28H22F2N2O/c29-25-17-19(11-15-31-25)9-13-28(14-10-20-12-16-32-26(30)18-20)23-7-3-1-5-21(23)27(33)22-6-2-4-8-24(22)28/h1-8,11-12,15-18H,9-10,13-14H2
InChIKeyXDVDMYILWCWREP-UHFFFAOYSA-N
MW440.49 g/mol
LogP5.85
Rot. Bonds6

About 10,10-bis[2-(2-fluoro-4-pyridinyl)ethyl]anthracen-9-one

10,10-bis[2-(2-fluoro-4-pyridinyl)ethyl]anthracen-9-one (PubChem CID 70266316) has the molecular formula C28H22F2N2O and a molecular weight of 440.49 g/mol. Its IUPAC name is 10,10-bis[2-(2-fluoro-4-pyridinyl)ethyl]anthracen-9-one.

Molecular Properties

Compound Name10,10-bis[2-(2-fluoro-4-pyridinyl)ethyl]anthracen-9-one
PubChem CID70266316
Molecular FormulaC28H22F2N2O
Molecular Weight440.49 g/mol
Exact Mass440.17
IUPAC Name10,10-bis[2-(2-fluoro-4-pyridinyl)ethyl]anthracen-9-one
SMILESO=C1c2ccccc2C(CCc2ccnc(F)c2)(CCc2ccnc(F)c2)c2ccccc21
InChIInChI=1S/C28H22F2N2O/c29-25-17-19(11-15-31-25)9-13-28(14-10-20-12-16-32-26(30)18-20)23-7-3-1-5-21(23)27(33)22-6-2-4-8-24(22)28/h1-8,11-12,15-18H,9-10,13-14H2
InChIKeyXDVDMYILWCWREP-UHFFFAOYSA-N
XLogP5.85
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.49
LogP ≤ 55.85
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 10,10-bis[2-(2-fluoro-4-pyridinyl)ethyl]anthracen-9-one?
The IUPAC name of 10,10-bis[2-(2-fluoro-4-pyridinyl)ethyl]anthracen-9-one (CID 70266316) is 10,10-bis[2-(2-fluoro-4-pyridinyl)ethyl]anthracen-9-one.
What is the SMILES notation for 10,10-bis[2-(2-fluoro-4-pyridinyl)ethyl]anthracen-9-one?
The canonical SMILES for 10,10-bis[2-(2-fluoro-4-pyridinyl)ethyl]anthracen-9-one is O=C1c2ccccc2C(CCc2ccnc(F)c2)(CCc2ccnc(F)c2)c2ccccc21.
What is the InChIKey of 10,10-bis[2-(2-fluoro-4-pyridinyl)ethyl]anthracen-9-one?
The InChIKey is XDVDMYILWCWREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F2N2O/c29-25-17-19(11-15-31-25)9-13-28(14-10-20-12-16-32-26(30)18-20)23-7-3-1-5-21(23)27(33)22-6-2-4-8-24(22)28/h1-8,11-12,15-18H,9-10,13-14H2.
What are the key properties of 10,10-bis[2-(2-fluoro-4-pyridinyl)ethyl]anthracen-9-one?
10,10-bis[2-(2-fluoro-4-pyridinyl)ethyl]anthracen-9-one has a molecular weight of 440.49 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-bis[2-(2-fluoro-4-pyridinyl)ethyl]anthracen-9-one is sourced from PubChem (CID 70266316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).