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

C24H14Br2N2O — CID 89409704

IUPAC10,10-bis(6-bromo-2-pyridinyl)anthracen-9-one
SMILESO=C1c2ccccc2C(c2cccc(Br)n2)(c2cccc(Br)n2)c2ccccc21
InChIInChI=1S/C24H14Br2N2O/c25-21-13-5-11-19(27-21)24(20-12-6-14-22(26)28-20)17-9-3-1-7-15(17)23(29)16-8-2-4-10-18(16)24/h1-14H
InChIKeyCQWGYLHHDMPQOS-UHFFFAOYSA-N
MW506.20 g/mol
LogP5.93
Rot. Bonds2

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

10,10-bis(6-bromo-2-pyridinyl)anthracen-9-one (PubChem CID 89409704) has the molecular formula C24H14Br2N2O and a molecular weight of 506.20 g/mol. Its IUPAC name is 10,10-bis(6-bromo-2-pyridinyl)anthracen-9-one.

Molecular Properties

Compound Name10,10-bis(6-bromo-2-pyridinyl)anthracen-9-one
PubChem CID89409704
Molecular FormulaC24H14Br2N2O
Molecular Weight506.20 g/mol
Exact Mass503.95
IUPAC Name10,10-bis(6-bromo-2-pyridinyl)anthracen-9-one
SMILESO=C1c2ccccc2C(c2cccc(Br)n2)(c2cccc(Br)n2)c2ccccc21
InChIInChI=1S/C24H14Br2N2O/c25-21-13-5-11-19(27-21)24(20-12-6-14-22(26)28-20)17-9-3-1-7-15(17)23(29)16-8-2-4-10-18(16)24/h1-14H
InChIKeyCQWGYLHHDMPQOS-UHFFFAOYSA-N
XLogP5.93
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.20
LogP ≤ 55.93
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(6-bromo-2-pyridinyl)anthracen-9-one?
The IUPAC name of 10,10-bis(6-bromo-2-pyridinyl)anthracen-9-one (CID 89409704) is 10,10-bis(6-bromo-2-pyridinyl)anthracen-9-one.
What is the SMILES notation for 10,10-bis(6-bromo-2-pyridinyl)anthracen-9-one?
The canonical SMILES for 10,10-bis(6-bromo-2-pyridinyl)anthracen-9-one is O=C1c2ccccc2C(c2cccc(Br)n2)(c2cccc(Br)n2)c2ccccc21.
What is the InChIKey of 10,10-bis(6-bromo-2-pyridinyl)anthracen-9-one?
The InChIKey is CQWGYLHHDMPQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Br2N2O/c25-21-13-5-11-19(27-21)24(20-12-6-14-22(26)28-20)17-9-3-1-7-15(17)23(29)16-8-2-4-10-18(16)24/h1-14H.
What are the key properties of 10,10-bis(6-bromo-2-pyridinyl)anthracen-9-one?
10,10-bis(6-bromo-2-pyridinyl)anthracen-9-one has a molecular weight of 506.20 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-bis(6-bromo-2-pyridinyl)anthracen-9-one is sourced from PubChem (CID 89409704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).