6-(2-phenylethenyl)-3,4-bis(phenylmethoxy)pyridazine

C26H22N2O2 — CID 89415006

IUPAC6-(2-phenylethenyl)-3,4-bis(phenylmethoxy)pyridazine
SMILESC(=Cc1cc(OCc2ccccc2)c(OCc2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C26H22N2O2/c1-4-10-21(11-5-1)16-17-24-18-25(29-19-22-12-6-2-7-13-22)26(28-27-24)30-20-23-14-8-3-9-15-23/h1-18H,19-20H2
InChIKeyGJQKFWPWGWDIFX-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.80
Rot. Bonds8

About 6-(2-phenylethenyl)-3,4-bis(phenylmethoxy)pyridazine

6-(2-phenylethenyl)-3,4-bis(phenylmethoxy)pyridazine (PubChem CID 89415006) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 6-(2-phenylethenyl)-3,4-bis(phenylmethoxy)pyridazine.

Molecular Properties

Compound Name6-(2-phenylethenyl)-3,4-bis(phenylmethoxy)pyridazine
PubChem CID89415006
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC Name6-(2-phenylethenyl)-3,4-bis(phenylmethoxy)pyridazine
SMILESC(=Cc1cc(OCc2ccccc2)c(OCc2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C26H22N2O2/c1-4-10-21(11-5-1)16-17-24-18-25(29-19-22-12-6-2-7-13-22)26(28-27-24)30-20-23-14-8-3-9-15-23/h1-18H,19-20H2
InChIKeyGJQKFWPWGWDIFX-UHFFFAOYSA-N
XLogP5.80
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-bis(phenylmethoxy)-6-prop-1-enylpyridazine
CID 123181647
6-[2-[3,4-bis(trifluoromethyl)phenyl]ethenyl]-3,4-bis(phenylmethoxy)pyridazine
CID 123573112
5-methyl-2-(2-phenylethenyl)-4-phenylmethoxypyridine
CID 54482733
6-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275895
6-[(4-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71270202
6-(1-phenylethyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71655673
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275863
6-[2-(4-chlorophenyl)ethyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71655736
6-(cyclohexen-1-yl)-3,4-bis(phenylmethoxy)pyridazine
CID 90239201
6-[2-(4-fluorophenyl)ethynyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71270241
6-(2-chloro-6-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275876

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethenyl)-3,4-bis(phenylmethoxy)pyridazine?
The IUPAC name of 6-(2-phenylethenyl)-3,4-bis(phenylmethoxy)pyridazine (CID 89415006) is 6-(2-phenylethenyl)-3,4-bis(phenylmethoxy)pyridazine.
What is the SMILES notation for 6-(2-phenylethenyl)-3,4-bis(phenylmethoxy)pyridazine?
The canonical SMILES for 6-(2-phenylethenyl)-3,4-bis(phenylmethoxy)pyridazine is C(=Cc1cc(OCc2ccccc2)c(OCc2ccccc2)nn1)c1ccccc1.
What is the InChIKey of 6-(2-phenylethenyl)-3,4-bis(phenylmethoxy)pyridazine?
The InChIKey is GJQKFWPWGWDIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2/c1-4-10-21(11-5-1)16-17-24-18-25(29-19-22-12-6-2-7-13-22)26(28-27-24)30-20-23-14-8-3-9-15-23/h1-18H,19-20H2.
What are the key properties of 6-(2-phenylethenyl)-3,4-bis(phenylmethoxy)pyridazine?
6-(2-phenylethenyl)-3,4-bis(phenylmethoxy)pyridazine has a molecular weight of 394.47 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethenyl)-3,4-bis(phenylmethoxy)pyridazine is sourced from PubChem (CID 89415006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).