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

C26H22Cl2N2O — CID 45073462

IUPAC10,10-bis(pyridin-4-ylmethyl)anthracen-9-one;dihydrochloride
SMILESCl.Cl.O=C1c2ccccc2C(Cc2ccncc2)(Cc2ccncc2)c2ccccc21
InChIInChI=1S/C26H20N2O.2ClH/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;2*1H
InChIKeyWOGWMARIFDNZON-UHFFFAOYSA-N
MW449.38 g/mol
LogP5.64
Rot. Bonds4

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

10,10-bis(pyridin-4-ylmethyl)anthracen-9-one;dihydrochloride (PubChem CID 45073462) has the molecular formula C26H22Cl2N2O and a molecular weight of 449.38 g/mol. Its IUPAC name is 10,10-bis(pyridin-4-ylmethyl)anthracen-9-one;dihydrochloride.

Molecular Properties

Compound Name10,10-bis(pyridin-4-ylmethyl)anthracen-9-one;dihydrochloride
PubChem CID45073462
Molecular FormulaC26H22Cl2N2O
Molecular Weight449.38 g/mol
Exact Mass448.11
IUPAC Name10,10-bis(pyridin-4-ylmethyl)anthracen-9-one;dihydrochloride
SMILESCl.Cl.O=C1c2ccccc2C(Cc2ccncc2)(Cc2ccncc2)c2ccccc21
InChIInChI=1S/C26H20N2O.2ClH/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;2*1H
InChIKeyWOGWMARIFDNZON-UHFFFAOYSA-N
XLogP5.64
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.38
LogP ≤ 55.64
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;dihydrochloride?
The IUPAC name of 10,10-bis(pyridin-4-ylmethyl)anthracen-9-one;dihydrochloride (CID 45073462) is 10,10-bis(pyridin-4-ylmethyl)anthracen-9-one;dihydrochloride.
What is the SMILES notation for 10,10-bis(pyridin-4-ylmethyl)anthracen-9-one;dihydrochloride?
The canonical SMILES for 10,10-bis(pyridin-4-ylmethyl)anthracen-9-one;dihydrochloride is Cl.Cl.O=C1c2ccccc2C(Cc2ccncc2)(Cc2ccncc2)c2ccccc21.
What is the InChIKey of 10,10-bis(pyridin-4-ylmethyl)anthracen-9-one;dihydrochloride?
The InChIKey is WOGWMARIFDNZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O.2ClH/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;2*1H.
What are the key properties of 10,10-bis(pyridin-4-ylmethyl)anthracen-9-one;dihydrochloride?
10,10-bis(pyridin-4-ylmethyl)anthracen-9-one;dihydrochloride has a molecular weight of 449.38 g/mol, XLogP of 5.64, 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;dihydrochloride is sourced from PubChem (CID 45073462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).