10,10-bis(6-phenyl-2-pyridinyl)anthracen-9-one

C36H24N2O — CID 71261589

IUPAC10,10-bis(6-phenyl-2-pyridinyl)anthracen-9-one
SMILESO=C1c2ccccc2C(c2cccc(-c3ccccc3)n2)(c2cccc(-c3ccccc3)n2)c2ccccc21
InChIInChI=1S/C36H24N2O/c39-35-27-17-7-9-19-29(27)36(30-20-10-8-18-28(30)35,33-23-11-21-31(37-33)25-13-3-1-4-14-25)34-24-12-22-32(38-34)26-15-5-2-6-16-26/h1-24H
InChIKeyJDUUEFLVXHKHTC-UHFFFAOYSA-N
MW500.60 g/mol
LogP7.74
Rot. Bonds4

About 10,10-bis(6-phenyl-2-pyridinyl)anthracen-9-one

10,10-bis(6-phenyl-2-pyridinyl)anthracen-9-one (PubChem CID 71261589) has the molecular formula C36H24N2O and a molecular weight of 500.60 g/mol. Its IUPAC name is 10,10-bis(6-phenyl-2-pyridinyl)anthracen-9-one.

Molecular Properties

Compound Name10,10-bis(6-phenyl-2-pyridinyl)anthracen-9-one
PubChem CID71261589
Molecular FormulaC36H24N2O
Molecular Weight500.60 g/mol
Exact Mass500.19
IUPAC Name10,10-bis(6-phenyl-2-pyridinyl)anthracen-9-one
SMILESO=C1c2ccccc2C(c2cccc(-c3ccccc3)n2)(c2cccc(-c3ccccc3)n2)c2ccccc21
InChIInChI=1S/C36H24N2O/c39-35-27-17-7-9-19-29(27)36(30-20-10-8-18-28(30)35,33-23-11-21-31(37-33)25-13-3-1-4-14-25)34-24-12-22-32(38-34)26-15-5-2-6-16-26/h1-24H
InChIKeyJDUUEFLVXHKHTC-UHFFFAOYSA-N
XLogP7.74
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10,10-bis(6-phenyl-2-pyridinyl)anthracen-9-one?
The IUPAC name of 10,10-bis(6-phenyl-2-pyridinyl)anthracen-9-one (CID 71261589) is 10,10-bis(6-phenyl-2-pyridinyl)anthracen-9-one.
What is the SMILES notation for 10,10-bis(6-phenyl-2-pyridinyl)anthracen-9-one?
The canonical SMILES for 10,10-bis(6-phenyl-2-pyridinyl)anthracen-9-one is O=C1c2ccccc2C(c2cccc(-c3ccccc3)n2)(c2cccc(-c3ccccc3)n2)c2ccccc21.
What is the InChIKey of 10,10-bis(6-phenyl-2-pyridinyl)anthracen-9-one?
The InChIKey is JDUUEFLVXHKHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2O/c39-35-27-17-7-9-19-29(27)36(30-20-10-8-18-28(30)35,33-23-11-21-31(37-33)25-13-3-1-4-14-25)34-24-12-22-32(38-34)26-15-5-2-6-16-26/h1-24H.
What are the key properties of 10,10-bis(6-phenyl-2-pyridinyl)anthracen-9-one?
10,10-bis(6-phenyl-2-pyridinyl)anthracen-9-one has a molecular weight of 500.60 g/mol, XLogP of 7.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-bis(6-phenyl-2-pyridinyl)anthracen-9-one is sourced from PubChem (CID 71261589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).