3,6-bis(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine

C27H26N2O3 — CID 18874648

IUPAC3,6-bis(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine
SMILESCOc1cc(-c2cc(-c3ccc(C)cc3)nnc2-c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C27H26N2O3/c1-17-6-10-19(11-7-17)23-16-22(26(29-28-23)20-12-8-18(2)9-13-20)21-14-24(30-3)27(32-5)25(15-21)31-4/h6-16H,1-5H3
InChIKeyQWNOQCVIVDINLG-UHFFFAOYSA-N
MW426.52 g/mol
LogP6.12
Rot. Bonds6

About 3,6-bis(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine

3,6-bis(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine (PubChem CID 18874648) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3,6-bis(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine.

Molecular Properties

Compound Name3,6-bis(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine
PubChem CID18874648
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Name3,6-bis(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine
SMILESCOc1cc(-c2cc(-c3ccc(C)cc3)nnc2-c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C27H26N2O3/c1-17-6-10-19(11-7-17)23-16-22(26(29-28-23)20-12-8-18(2)9-13-20)21-14-24(30-3)27(32-5)25(15-21)31-4/h6-16H,1-5H3
InChIKeyQWNOQCVIVDINLG-UHFFFAOYSA-N
XLogP6.12
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,2,4-triazine
CID 67422117
3-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine
CID 172676310
5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine
CID 90670581
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347
4-(3,4-dimethoxyphenyl)-2-methoxy-6-(4-methylphenyl)pyrimidine
CID 2854304
4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141185580
4-(4-methylphenyl)-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-thiazole
CID 6213878
6-methyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-amine
CID 24951689
4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole
CID 59430230
N-cyclopropyl-6-(3,4,5-trimethoxyphenyl)pyridazin-3-amine
CID 74249111
1-(2-methoxy-4-methylphenoxy)-4-(4-methylphenyl)phthalazine
CID 6407636
4-chloro-3-methoxy-6-(4-methylphenyl)pyridazine
CID 71818920

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine?
The IUPAC name of 3,6-bis(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine (CID 18874648) is 3,6-bis(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine.
What is the SMILES notation for 3,6-bis(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine?
The canonical SMILES for 3,6-bis(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine is COc1cc(-c2cc(-c3ccc(C)cc3)nnc2-c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of 3,6-bis(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine?
The InChIKey is QWNOQCVIVDINLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-17-6-10-19(11-7-17)23-16-22(26(29-28-23)20-12-8-18(2)9-13-20)21-14-24(30-3)27(32-5)25(15-21)31-4/h6-16H,1-5H3.
What are the key properties of 3,6-bis(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine?
3,6-bis(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine has a molecular weight of 426.52 g/mol, XLogP of 6.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine is sourced from PubChem (CID 18874648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).