6-[1-(4-fluorophenyl)ethenyl]-3,4-bis(phenylmethoxy)pyridazine

C26H21FN2O2 — CID 86677028

IUPAC6-[1-(4-fluorophenyl)ethenyl]-3,4-bis(phenylmethoxy)pyridazine
SMILESC=C(c1ccc(F)cc1)c1cc(OCc2ccccc2)c(OCc2ccccc2)nn1
InChIInChI=1S/C26H21FN2O2/c1-19(22-12-14-23(27)15-13-22)24-16-25(30-17-20-8-4-2-5-9-20)26(29-28-24)31-18-21-10-6-3-7-11-21/h2-16H,1,17-18H2
InChIKeyDYTCHMHKWSXDBI-UHFFFAOYSA-N
MW412.46 g/mol
LogP5.84
Rot. Bonds8

About 6-[1-(4-fluorophenyl)ethenyl]-3,4-bis(phenylmethoxy)pyridazine

6-[1-(4-fluorophenyl)ethenyl]-3,4-bis(phenylmethoxy)pyridazine (PubChem CID 86677028) has the molecular formula C26H21FN2O2 and a molecular weight of 412.46 g/mol. Its IUPAC name is 6-[1-(4-fluorophenyl)ethenyl]-3,4-bis(phenylmethoxy)pyridazine.

Molecular Properties

Compound Name6-[1-(4-fluorophenyl)ethenyl]-3,4-bis(phenylmethoxy)pyridazine
PubChem CID86677028
Molecular FormulaC26H21FN2O2
Molecular Weight412.46 g/mol
Exact Mass412.16
IUPAC Name6-[1-(4-fluorophenyl)ethenyl]-3,4-bis(phenylmethoxy)pyridazine
SMILESC=C(c1ccc(F)cc1)c1cc(OCc2ccccc2)c(OCc2ccccc2)nn1
InChIInChI=1S/C26H21FN2O2/c1-19(22-12-14-23(27)15-13-22)24-16-25(30-17-20-8-4-2-5-9-20)26(29-28-24)31-18-21-10-6-3-7-11-21/h2-16H,1,17-18H2
InChIKeyDYTCHMHKWSXDBI-UHFFFAOYSA-N
XLogP5.84
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.46
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[1-(4-fluorophenyl)ethenyl]-3,4-bis(phenylmethoxy)pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-bis(phenylmethoxy)-6-[1-[4-(trifluoromethyl)phenyl]ethenyl]pyridazine
CID 86677034
6-[2-(4-fluorophenyl)ethynyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71270241
6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275863
6-[2-(2,4-difluorophenyl)ethynyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71270040
6-(2-chloro-6-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275876
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
6-(2-phenylethenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 89415006
6-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275895
3,4-bis(phenylmethoxy)-6-prop-1-enylpyridazine
CID 123181647
6-(cyclohexen-1-yl)-3,4-bis(phenylmethoxy)pyridazine
CID 90239201
6-(1-phenylethyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71655673
2-[(4-fluorophenyl)methoxy]phenol
CID 43143460

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-fluorophenyl)ethenyl]-3,4-bis(phenylmethoxy)pyridazine?
The IUPAC name of 6-[1-(4-fluorophenyl)ethenyl]-3,4-bis(phenylmethoxy)pyridazine (CID 86677028) is 6-[1-(4-fluorophenyl)ethenyl]-3,4-bis(phenylmethoxy)pyridazine.
What is the SMILES notation for 6-[1-(4-fluorophenyl)ethenyl]-3,4-bis(phenylmethoxy)pyridazine?
The canonical SMILES for 6-[1-(4-fluorophenyl)ethenyl]-3,4-bis(phenylmethoxy)pyridazine is C=C(c1ccc(F)cc1)c1cc(OCc2ccccc2)c(OCc2ccccc2)nn1.
What is the InChIKey of 6-[1-(4-fluorophenyl)ethenyl]-3,4-bis(phenylmethoxy)pyridazine?
The InChIKey is DYTCHMHKWSXDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O2/c1-19(22-12-14-23(27)15-13-22)24-16-25(30-17-20-8-4-2-5-9-20)26(29-28-24)31-18-21-10-6-3-7-11-21/h2-16H,1,17-18H2.
What are the key properties of 6-[1-(4-fluorophenyl)ethenyl]-3,4-bis(phenylmethoxy)pyridazine?
6-[1-(4-fluorophenyl)ethenyl]-3,4-bis(phenylmethoxy)pyridazine has a molecular weight of 412.46 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-fluorophenyl)ethenyl]-3,4-bis(phenylmethoxy)pyridazine is sourced from PubChem (CID 86677028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).