3,4-bis(phenylmethoxy)-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyridazine

C27H19F3N2O3 — CID 71270488

IUPAC3,4-bis(phenylmethoxy)-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyridazine
SMILESFC(F)(F)Oc1ccc(C#Cc2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)cc1
InChIInChI=1S/C27H19F3N2O3/c28-27(29,30)35-24-15-12-20(13-16-24)11-14-23-17-25(33-18-21-7-3-1-4-8-21)26(32-31-23)34-19-22-9-5-2-6-10-22/h1-10,12-13,15-17H,18-19H2
InChIKeyAHFDLHSPLZLDOT-UHFFFAOYSA-N
MW476.45 g/mol
LogP5.93
Rot. Bonds7

About 3,4-bis(phenylmethoxy)-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyridazine

3,4-bis(phenylmethoxy)-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyridazine (PubChem CID 71270488) has the molecular formula C27H19F3N2O3 and a molecular weight of 476.45 g/mol. Its IUPAC name is 3,4-bis(phenylmethoxy)-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyridazine.

Molecular Properties

Compound Name3,4-bis(phenylmethoxy)-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyridazine
PubChem CID71270488
Molecular FormulaC27H19F3N2O3
Molecular Weight476.45 g/mol
Exact Mass476.13
IUPAC Name3,4-bis(phenylmethoxy)-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyridazine
SMILESFC(F)(F)Oc1ccc(C#Cc2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)cc1
InChIInChI=1S/C27H19F3N2O3/c28-27(29,30)35-24-15-12-20(13-16-24)11-14-23-17-25(33-18-21-7-3-1-4-8-21)26(32-31-23)34-19-22-9-5-2-6-10-22/h1-10,12-13,15-17H,18-19H2
InChIKeyAHFDLHSPLZLDOT-UHFFFAOYSA-N
XLogP5.93
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.45
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,4-bis(phenylmethoxy)-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]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

6-[2-(4-fluorophenyl)ethynyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71270241
3,4-bis(phenylmethoxy)-6-[2-[3-(trifluoromethyl)phenyl]ethynyl]pyridazine
CID 71270335
6-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethynyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71270162
3-(cyclohexa-1,3-dien-1-ylmethoxy)-4-phenylmethoxy-6-[2-[3-(trifluoromethoxy)phenyl]ethynyl]pyridazine
CID 163760160
6-[2-[3-(difluoromethyl)phenyl]ethynyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71270039
3,4-bis(phenylmethoxy)-6-(2-propan-2-ylsulfanylethynyl)pyridazine
CID 118518142
6-[2-(2,4-difluorophenyl)ethynyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71270040
6-[2-[2-chloro-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethynyl]-3,4-bis(phenylmethoxy)pyridazine
CID 123198727
1-chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64763975
2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171921767
2-iodo-1-(2-phenylmethoxyphenyl)-4-(trifluoromethoxy)benzene
CID 172676595
4-ethynyl-2-phenylmethoxy-1-[2-(trifluoromethoxy)phenyl]benzene
CID 176508519

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(phenylmethoxy)-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyridazine?
The IUPAC name of 3,4-bis(phenylmethoxy)-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyridazine (CID 71270488) is 3,4-bis(phenylmethoxy)-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyridazine.
What is the SMILES notation for 3,4-bis(phenylmethoxy)-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyridazine?
The canonical SMILES for 3,4-bis(phenylmethoxy)-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyridazine is FC(F)(F)Oc1ccc(C#Cc2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)cc1.
What is the InChIKey of 3,4-bis(phenylmethoxy)-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyridazine?
The InChIKey is AHFDLHSPLZLDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N2O3/c28-27(29,30)35-24-15-12-20(13-16-24)11-14-23-17-25(33-18-21-7-3-1-4-8-21)26(32-31-23)34-19-22-9-5-2-6-10-22/h1-10,12-13,15-17H,18-19H2.
What are the key properties of 3,4-bis(phenylmethoxy)-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyridazine?
3,4-bis(phenylmethoxy)-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyridazine has a molecular weight of 476.45 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(phenylmethoxy)-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]pyridazine is sourced from PubChem (CID 71270488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).