10,10-bis[(3,5-difluoro-4-pyridinyl)methyl]anthracen-9-one

C26H16F4N2O — CID 155535120

IUPAC10,10-bis[(3,5-difluoro-4-pyridinyl)methyl]anthracen-9-one
SMILESO=C1c2ccccc2C(Cc2c(F)cncc2F)(Cc2c(F)cncc2F)c2ccccc21
InChIInChI=1S/C26H16F4N2O/c27-21-11-31-12-22(28)17(21)9-26(10-18-23(29)13-32-14-24(18)30)19-7-3-1-5-15(19)25(33)16-6-2-4-8-20(16)26/h1-8,11-14H,9-10H2
InChIKeyMUMHZFHRQBJIKQ-UHFFFAOYSA-N
MW448.42 g/mol
LogP5.35
Rot. Bonds4

About 10,10-bis[(3,5-difluoro-4-pyridinyl)methyl]anthracen-9-one

10,10-bis[(3,5-difluoro-4-pyridinyl)methyl]anthracen-9-one (PubChem CID 155535120) has the molecular formula C26H16F4N2O and a molecular weight of 448.42 g/mol. Its IUPAC name is 10,10-bis[(3,5-difluoro-4-pyridinyl)methyl]anthracen-9-one.

Molecular Properties

Compound Name10,10-bis[(3,5-difluoro-4-pyridinyl)methyl]anthracen-9-one
PubChem CID155535120
Molecular FormulaC26H16F4N2O
Molecular Weight448.42 g/mol
Exact Mass448.12
IUPAC Name10,10-bis[(3,5-difluoro-4-pyridinyl)methyl]anthracen-9-one
SMILESO=C1c2ccccc2C(Cc2c(F)cncc2F)(Cc2c(F)cncc2F)c2ccccc21
InChIInChI=1S/C26H16F4N2O/c27-21-11-31-12-22(28)17(21)9-26(10-18-23(29)13-32-14-24(18)30)19-7-3-1-5-15(19)25(33)16-6-2-4-8-20(16)26/h1-8,11-14H,9-10H2
InChIKeyMUMHZFHRQBJIKQ-UHFFFAOYSA-N
XLogP5.35
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.42
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10,10-bis[(3,5-difluoro-4-pyridinyl)methyl]anthracen-9-one?
The IUPAC name of 10,10-bis[(3,5-difluoro-4-pyridinyl)methyl]anthracen-9-one (CID 155535120) is 10,10-bis[(3,5-difluoro-4-pyridinyl)methyl]anthracen-9-one.
What is the SMILES notation for 10,10-bis[(3,5-difluoro-4-pyridinyl)methyl]anthracen-9-one?
The canonical SMILES for 10,10-bis[(3,5-difluoro-4-pyridinyl)methyl]anthracen-9-one is O=C1c2ccccc2C(Cc2c(F)cncc2F)(Cc2c(F)cncc2F)c2ccccc21.
What is the InChIKey of 10,10-bis[(3,5-difluoro-4-pyridinyl)methyl]anthracen-9-one?
The InChIKey is MUMHZFHRQBJIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F4N2O/c27-21-11-31-12-22(28)17(21)9-26(10-18-23(29)13-32-14-24(18)30)19-7-3-1-5-15(19)25(33)16-6-2-4-8-20(16)26/h1-8,11-14H,9-10H2.
What are the key properties of 10,10-bis[(3,5-difluoro-4-pyridinyl)methyl]anthracen-9-one?
10,10-bis[(3,5-difluoro-4-pyridinyl)methyl]anthracen-9-one has a molecular weight of 448.42 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-bis[(3,5-difluoro-4-pyridinyl)methyl]anthracen-9-one is sourced from PubChem (CID 155535120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).