6-[2-[3,4-bis(trifluoromethyl)phenyl]ethenyl]-3,4-bis(phenylmethoxy)pyridazine

C28H20F6N2O2 — CID 123573112

IUPAC6-[2-[3,4-bis(trifluoromethyl)phenyl]ethenyl]-3,4-bis(phenylmethoxy)pyridazine
SMILESFC(F)(F)c1ccc(C=Cc2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)cc1C(F)(F)F
InChIInChI=1S/C28H20F6N2O2/c29-27(30,31)23-14-12-19(15-24(23)28(32,33)34)11-13-22-16-25(37-17-20-7-3-1-4-8-20)26(36-35-22)38-18-21-9-5-2-6-10-21/h1-16H,17-18H2
InChIKeyXWBLGRHIZWXROA-UHFFFAOYSA-N
MW530.47 g/mol
LogP7.84
Rot. Bonds8

About 6-[2-[3,4-bis(trifluoromethyl)phenyl]ethenyl]-3,4-bis(phenylmethoxy)pyridazine

6-[2-[3,4-bis(trifluoromethyl)phenyl]ethenyl]-3,4-bis(phenylmethoxy)pyridazine (PubChem CID 123573112) has the molecular formula C28H20F6N2O2 and a molecular weight of 530.47 g/mol. Its IUPAC name is 6-[2-[3,4-bis(trifluoromethyl)phenyl]ethenyl]-3,4-bis(phenylmethoxy)pyridazine.

Molecular Properties

Compound Name6-[2-[3,4-bis(trifluoromethyl)phenyl]ethenyl]-3,4-bis(phenylmethoxy)pyridazine
PubChem CID123573112
Molecular FormulaC28H20F6N2O2
Molecular Weight530.47 g/mol
Exact Mass530.14
IUPAC Name6-[2-[3,4-bis(trifluoromethyl)phenyl]ethenyl]-3,4-bis(phenylmethoxy)pyridazine
SMILESFC(F)(F)c1ccc(C=Cc2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)cc1C(F)(F)F
InChIInChI=1S/C28H20F6N2O2/c29-27(30,31)23-14-12-19(15-24(23)28(32,33)34)11-13-22-16-25(37-17-20-7-3-1-4-8-20)26(36-35-22)38-18-21-9-5-2-6-10-21/h1-16H,17-18H2
InChIKeyXWBLGRHIZWXROA-UHFFFAOYSA-N
XLogP7.84
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.47
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3,4-bis(trifluoromethyl)phenyl]ethenyl]-3,4-bis(phenylmethoxy)pyridazine?
The IUPAC name of 6-[2-[3,4-bis(trifluoromethyl)phenyl]ethenyl]-3,4-bis(phenylmethoxy)pyridazine (CID 123573112) is 6-[2-[3,4-bis(trifluoromethyl)phenyl]ethenyl]-3,4-bis(phenylmethoxy)pyridazine.
What is the SMILES notation for 6-[2-[3,4-bis(trifluoromethyl)phenyl]ethenyl]-3,4-bis(phenylmethoxy)pyridazine?
The canonical SMILES for 6-[2-[3,4-bis(trifluoromethyl)phenyl]ethenyl]-3,4-bis(phenylmethoxy)pyridazine is FC(F)(F)c1ccc(C=Cc2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)cc1C(F)(F)F.
What is the InChIKey of 6-[2-[3,4-bis(trifluoromethyl)phenyl]ethenyl]-3,4-bis(phenylmethoxy)pyridazine?
The InChIKey is XWBLGRHIZWXROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F6N2O2/c29-27(30,31)23-14-12-19(15-24(23)28(32,33)34)11-13-22-16-25(37-17-20-7-3-1-4-8-20)26(36-35-22)38-18-21-9-5-2-6-10-21/h1-16H,17-18H2.
What are the key properties of 6-[2-[3,4-bis(trifluoromethyl)phenyl]ethenyl]-3,4-bis(phenylmethoxy)pyridazine?
6-[2-[3,4-bis(trifluoromethyl)phenyl]ethenyl]-3,4-bis(phenylmethoxy)pyridazine has a molecular weight of 530.47 g/mol, XLogP of 7.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3,4-bis(trifluoromethyl)phenyl]ethenyl]-3,4-bis(phenylmethoxy)pyridazine is sourced from PubChem (CID 123573112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).