3,4-bis(4-methoxyphenyl)-6-(2,3,4,5,6-pentafluorophenoxy)pyridazine

C24H15F5N2O3 — CID 10140295

IUPAC3,4-bis(4-methoxyphenyl)-6-(2,3,4,5,6-pentafluorophenoxy)pyridazine
SMILESCOc1ccc(-c2cc(Oc3c(F)c(F)c(F)c(F)c3F)nnc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H15F5N2O3/c1-32-14-7-3-12(4-8-14)16-11-17(30-31-23(16)13-5-9-15(33-2)10-6-13)34-24-21(28)19(26)18(25)20(27)22(24)29/h3-11H,1-2H3
InChIKeyJLEPZUZKHQGZAQ-UHFFFAOYSA-N
MW474.39 g/mol
LogP6.32
Rot. Bonds6

About 3,4-bis(4-methoxyphenyl)-6-(2,3,4,5,6-pentafluorophenoxy)pyridazine

3,4-bis(4-methoxyphenyl)-6-(2,3,4,5,6-pentafluorophenoxy)pyridazine (PubChem CID 10140295) has the molecular formula C24H15F5N2O3 and a molecular weight of 474.39 g/mol. Its IUPAC name is 3,4-bis(4-methoxyphenyl)-6-(2,3,4,5,6-pentafluorophenoxy)pyridazine.

Molecular Properties

Compound Name3,4-bis(4-methoxyphenyl)-6-(2,3,4,5,6-pentafluorophenoxy)pyridazine
PubChem CID10140295
Molecular FormulaC24H15F5N2O3
Molecular Weight474.39 g/mol
Exact Mass474.10
IUPAC Name3,4-bis(4-methoxyphenyl)-6-(2,3,4,5,6-pentafluorophenoxy)pyridazine
SMILESCOc1ccc(-c2cc(Oc3c(F)c(F)c(F)c(F)c3F)nnc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H15F5N2O3/c1-32-14-7-3-12(4-8-14)16-11-17(30-31-23(16)13-5-9-15(33-2)10-6-13)34-24-21(28)19(26)18(25)20(27)22(24)29/h3-11H,1-2H3
InChIKeyJLEPZUZKHQGZAQ-UHFFFAOYSA-N
XLogP6.32
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.39
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-methoxyphenyl)-6-(2,3,4,5,6-pentafluorophenoxy)pyridazine?
The IUPAC name of 3,4-bis(4-methoxyphenyl)-6-(2,3,4,5,6-pentafluorophenoxy)pyridazine (CID 10140295) is 3,4-bis(4-methoxyphenyl)-6-(2,3,4,5,6-pentafluorophenoxy)pyridazine.
What is the SMILES notation for 3,4-bis(4-methoxyphenyl)-6-(2,3,4,5,6-pentafluorophenoxy)pyridazine?
The canonical SMILES for 3,4-bis(4-methoxyphenyl)-6-(2,3,4,5,6-pentafluorophenoxy)pyridazine is COc1ccc(-c2cc(Oc3c(F)c(F)c(F)c(F)c3F)nnc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 3,4-bis(4-methoxyphenyl)-6-(2,3,4,5,6-pentafluorophenoxy)pyridazine?
The InChIKey is JLEPZUZKHQGZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F5N2O3/c1-32-14-7-3-12(4-8-14)16-11-17(30-31-23(16)13-5-9-15(33-2)10-6-13)34-24-21(28)19(26)18(25)20(27)22(24)29/h3-11H,1-2H3.
What are the key properties of 3,4-bis(4-methoxyphenyl)-6-(2,3,4,5,6-pentafluorophenoxy)pyridazine?
3,4-bis(4-methoxyphenyl)-6-(2,3,4,5,6-pentafluorophenoxy)pyridazine has a molecular weight of 474.39 g/mol, XLogP of 6.32, 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-(2,3,4,5,6-pentafluorophenoxy)pyridazine is sourced from PubChem (CID 10140295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).