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

C27H21F3N2O2 — CID 86677034

IUPAC3,4-bis(phenylmethoxy)-6-[1-[4-(trifluoromethyl)phenyl]ethenyl]pyridazine
SMILESC=C(c1ccc(C(F)(F)F)cc1)c1cc(OCc2ccccc2)c(OCc2ccccc2)nn1
InChIInChI=1S/C27H21F3N2O2/c1-19(22-12-14-23(15-13-22)27(28,29)30)24-16-25(33-17-20-8-4-2-5-9-20)26(32-31-24)34-18-21-10-6-3-7-11-21/h2-16H,1,17-18H2
InChIKeyRRXSOMFLOJARES-UHFFFAOYSA-N
MW462.47 g/mol
LogP6.71
Rot. Bonds8

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

3,4-bis(phenylmethoxy)-6-[1-[4-(trifluoromethyl)phenyl]ethenyl]pyridazine (PubChem CID 86677034) has the molecular formula C27H21F3N2O2 and a molecular weight of 462.47 g/mol. Its IUPAC name is 3,4-bis(phenylmethoxy)-6-[1-[4-(trifluoromethyl)phenyl]ethenyl]pyridazine.

Molecular Properties

Compound Name3,4-bis(phenylmethoxy)-6-[1-[4-(trifluoromethyl)phenyl]ethenyl]pyridazine
PubChem CID86677034
Molecular FormulaC27H21F3N2O2
Molecular Weight462.47 g/mol
Exact Mass462.16
IUPAC Name3,4-bis(phenylmethoxy)-6-[1-[4-(trifluoromethyl)phenyl]ethenyl]pyridazine
SMILESC=C(c1ccc(C(F)(F)F)cc1)c1cc(OCc2ccccc2)c(OCc2ccccc2)nn1
InChIInChI=1S/C27H21F3N2O2/c1-19(22-12-14-23(15-13-22)27(28,29)30)24-16-25(33-17-20-8-4-2-5-9-20)26(32-31-24)34-18-21-10-6-3-7-11-21/h2-16H,1,17-18H2
InChIKeyRRXSOMFLOJARES-UHFFFAOYSA-N
XLogP6.71
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.47
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(4-fluorophenyl)ethenyl]-3,4-bis(phenylmethoxy)pyridazine
CID 86677028
3,4-bis(phenylmethoxy)-6-[2-[3-(trifluoromethyl)phenyl]ethynyl]pyridazine
CID 71270335
1-(1-phenylethenyl)-4-(trifluoromethyl)benzene
CID 10634268
[4-(3-methoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46413267
N-(2-phenylmethoxyphenyl)-4-(trifluoromethyl)benzamide
CID 141040203
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707
6-[2-[3,4-bis(trifluoromethyl)phenyl]ethenyl]-3,4-bis(phenylmethoxy)pyridazine
CID 123573112
3-methyl-6-phenyl-2-phenylmethoxy-4-[4-(trifluoromethyl)phenyl]pyridine
CID 162617775
2-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]benzoic acid
CID 68869462
1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 174057400
2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene
CID 177493638
6-(2-chloro-6-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275876

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(phenylmethoxy)-6-[1-[4-(trifluoromethyl)phenyl]ethenyl]pyridazine?
The IUPAC name of 3,4-bis(phenylmethoxy)-6-[1-[4-(trifluoromethyl)phenyl]ethenyl]pyridazine (CID 86677034) is 3,4-bis(phenylmethoxy)-6-[1-[4-(trifluoromethyl)phenyl]ethenyl]pyridazine.
What is the SMILES notation for 3,4-bis(phenylmethoxy)-6-[1-[4-(trifluoromethyl)phenyl]ethenyl]pyridazine?
The canonical SMILES for 3,4-bis(phenylmethoxy)-6-[1-[4-(trifluoromethyl)phenyl]ethenyl]pyridazine is C=C(c1ccc(C(F)(F)F)cc1)c1cc(OCc2ccccc2)c(OCc2ccccc2)nn1.
What is the InChIKey of 3,4-bis(phenylmethoxy)-6-[1-[4-(trifluoromethyl)phenyl]ethenyl]pyridazine?
The InChIKey is RRXSOMFLOJARES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F3N2O2/c1-19(22-12-14-23(15-13-22)27(28,29)30)24-16-25(33-17-20-8-4-2-5-9-20)26(32-31-24)34-18-21-10-6-3-7-11-21/h2-16H,1,17-18H2.
What are the key properties of 3,4-bis(phenylmethoxy)-6-[1-[4-(trifluoromethyl)phenyl]ethenyl]pyridazine?
3,4-bis(phenylmethoxy)-6-[1-[4-(trifluoromethyl)phenyl]ethenyl]pyridazine has a molecular weight of 462.47 g/mol, XLogP of 6.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(phenylmethoxy)-6-[1-[4-(trifluoromethyl)phenyl]ethenyl]pyridazine is sourced from PubChem (CID 86677034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).