3,4-bis(4-methoxyphenyl)-6-phenoxypyridazine

C24H20N2O3 — CID 10178057

IUPAC3,4-bis(4-methoxyphenyl)-6-phenoxypyridazine
SMILESCOc1ccc(-c2cc(Oc3ccccc3)nnc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H20N2O3/c1-27-19-12-8-17(9-13-19)22-16-23(29-21-6-4-3-5-7-21)25-26-24(22)18-10-14-20(28-2)15-11-18/h3-16H,1-2H3
InChIKeyFRUXLWZCQLIZQW-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.62
Rot. Bonds6

About 3,4-bis(4-methoxyphenyl)-6-phenoxypyridazine

3,4-bis(4-methoxyphenyl)-6-phenoxypyridazine (PubChem CID 10178057) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3,4-bis(4-methoxyphenyl)-6-phenoxypyridazine.

Molecular Properties

Compound Name3,4-bis(4-methoxyphenyl)-6-phenoxypyridazine
PubChem CID10178057
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name3,4-bis(4-methoxyphenyl)-6-phenoxypyridazine
SMILESCOc1ccc(-c2cc(Oc3ccccc3)nnc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H20N2O3/c1-27-19-12-8-17(9-13-19)22-16-23(29-21-6-4-3-5-7-21)25-26-24(22)18-10-14-20(28-2)15-11-18/h3-16H,1-2H3
InChIKeyFRUXLWZCQLIZQW-UHFFFAOYSA-N
XLogP5.62
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-methoxyphenyl)-6-phenoxypyridazine?
The IUPAC name of 3,4-bis(4-methoxyphenyl)-6-phenoxypyridazine (CID 10178057) is 3,4-bis(4-methoxyphenyl)-6-phenoxypyridazine.
What is the SMILES notation for 3,4-bis(4-methoxyphenyl)-6-phenoxypyridazine?
The canonical SMILES for 3,4-bis(4-methoxyphenyl)-6-phenoxypyridazine is COc1ccc(-c2cc(Oc3ccccc3)nnc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 3,4-bis(4-methoxyphenyl)-6-phenoxypyridazine?
The InChIKey is FRUXLWZCQLIZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-27-19-12-8-17(9-13-19)22-16-23(29-21-6-4-3-5-7-21)25-26-24(22)18-10-14-20(28-2)15-11-18/h3-16H,1-2H3.
What are the key properties of 3,4-bis(4-methoxyphenyl)-6-phenoxypyridazine?
3,4-bis(4-methoxyphenyl)-6-phenoxypyridazine has a molecular weight of 384.44 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-methoxyphenyl)-6-phenoxypyridazine is sourced from PubChem (CID 10178057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).