10,10-bis(pyridin-4-ylmethyl)anthracen-9-one

C26H20N2O — CID 656732

IUPAC10,10-bis(pyridin-4-ylmethyl)anthracen-9-one
SMILESO=C1c2ccccc2C(Cc2ccncc2)(Cc2ccncc2)c2ccccc21
InChIInChI=1S/C26H20N2O/c29-25-21-5-1-3-7-23(21)26(17-19-9-13-27-14-10-19,18-20-11-15-28-16-12-20)24-8-4-2-6-22(24)25/h1-16H,17-18H2
InChIKeyKHJFBUUFMUBONL-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.79
Rot. Bonds4

About 10,10-bis(pyridin-4-ylmethyl)anthracen-9-one

10,10-bis(pyridin-4-ylmethyl)anthracen-9-one (PubChem CID 656732) has the molecular formula C26H20N2O and a molecular weight of 376.46 g/mol. Its IUPAC name is 10,10-bis(pyridin-4-ylmethyl)anthracen-9-one.

Molecular Properties

Compound Name10,10-bis(pyridin-4-ylmethyl)anthracen-9-one
PubChem CID656732
Molecular FormulaC26H20N2O
Molecular Weight376.46 g/mol
Exact Mass376.16
IUPAC Name10,10-bis(pyridin-4-ylmethyl)anthracen-9-one
SMILESO=C1c2ccccc2C(Cc2ccncc2)(Cc2ccncc2)c2ccccc21
InChIInChI=1S/C26H20N2O/c29-25-21-5-1-3-7-23(21)26(17-19-9-13-27-14-10-19,18-20-11-15-28-16-12-20)24-8-4-2-6-22(24)25/h1-16H,17-18H2
InChIKeyKHJFBUUFMUBONL-UHFFFAOYSA-N
XLogP4.79
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10,10-bis(pyridin-4-ylmethyl)anthracen-9-one?
The IUPAC name of 10,10-bis(pyridin-4-ylmethyl)anthracen-9-one (CID 656732) is 10,10-bis(pyridin-4-ylmethyl)anthracen-9-one.
What is the SMILES notation for 10,10-bis(pyridin-4-ylmethyl)anthracen-9-one?
The canonical SMILES for 10,10-bis(pyridin-4-ylmethyl)anthracen-9-one is O=C1c2ccccc2C(Cc2ccncc2)(Cc2ccncc2)c2ccccc21.
What is the InChIKey of 10,10-bis(pyridin-4-ylmethyl)anthracen-9-one?
The InChIKey is KHJFBUUFMUBONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O/c29-25-21-5-1-3-7-23(21)26(17-19-9-13-27-14-10-19,18-20-11-15-28-16-12-20)24-8-4-2-6-22(24)25/h1-16H,17-18H2.
What are the key properties of 10,10-bis(pyridin-4-ylmethyl)anthracen-9-one?
10,10-bis(pyridin-4-ylmethyl)anthracen-9-one has a molecular weight of 376.46 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-bis(pyridin-4-ylmethyl)anthracen-9-one is sourced from PubChem (CID 656732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).