3,6-bis(3,4-dimethoxyphenyl)-4,5-dimethyl-1-phenyl-4H-pyridazine

C28H30N2O4 — CID 14003929

IUPAC3,6-bis(3,4-dimethoxyphenyl)-4,5-dimethyl-1-phenyl-4H-pyridazine
SMILESCOc1ccc(C2=NN(c3ccccc3)C(c3ccc(OC)c(OC)c3)=C(C)C2C)cc1OC
InChIInChI=1S/C28H30N2O4/c1-18-19(2)28(21-13-15-24(32-4)26(17-21)34-6)30(22-10-8-7-9-11-22)29-27(18)20-12-14-23(31-3)25(16-20)33-5/h7-18H,1-6H3
InChIKeyTVRFHBOWMVZYFE-UHFFFAOYSA-N
MW458.56 g/mol
LogP6.01
Rot. Bonds7

About 3,6-bis(3,4-dimethoxyphenyl)-4,5-dimethyl-1-phenyl-4H-pyridazine

3,6-bis(3,4-dimethoxyphenyl)-4,5-dimethyl-1-phenyl-4H-pyridazine (PubChem CID 14003929) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is 3,6-bis(3,4-dimethoxyphenyl)-4,5-dimethyl-1-phenyl-4H-pyridazine.

Molecular Properties

Compound Name3,6-bis(3,4-dimethoxyphenyl)-4,5-dimethyl-1-phenyl-4H-pyridazine
PubChem CID14003929
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC Name3,6-bis(3,4-dimethoxyphenyl)-4,5-dimethyl-1-phenyl-4H-pyridazine
SMILESCOc1ccc(C2=NN(c3ccccc3)C(c3ccc(OC)c(OC)c3)=C(C)C2C)cc1OC
InChIInChI=1S/C28H30N2O4/c1-18-19(2)28(21-13-15-24(32-4)26(17-21)34-6)30(22-10-8-7-9-11-22)29-27(18)20-12-14-23(31-3)25(16-20)33-5/h7-18H,1-6H3
InChIKeyTVRFHBOWMVZYFE-UHFFFAOYSA-N
XLogP6.01
TPSA52.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4R,5S)-6-(3,4-dimethoxyphenyl)-4,5-dimethyl-2-phenyl-4,5-dihydropyridazin-3-one
CID 11046024
(4aS,8aR)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 57290076
(4S)-4-(3,4-dimethoxybenzoyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 98196385
(4aS,8aR)-4-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one
CID 24841836
(2S,5S,6S)-2-(3,4-dimethoxyphenyl)-4-(4-methylphenyl)-6-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 100888123
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347
(4aR,8aS)-2-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 70004066
6-(3,4-dimethoxyphenyl)-2-phenylpyridazin-3-one
CID 56850592
3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 3780249
4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid
CID 1478012
4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-5-amine
CID 767167
2-[4-(2-benzyltetrazol-5-yl)phenyl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 18690894

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(3,4-dimethoxyphenyl)-4,5-dimethyl-1-phenyl-4H-pyridazine?
The IUPAC name of 3,6-bis(3,4-dimethoxyphenyl)-4,5-dimethyl-1-phenyl-4H-pyridazine (CID 14003929) is 3,6-bis(3,4-dimethoxyphenyl)-4,5-dimethyl-1-phenyl-4H-pyridazine.
What is the SMILES notation for 3,6-bis(3,4-dimethoxyphenyl)-4,5-dimethyl-1-phenyl-4H-pyridazine?
The canonical SMILES for 3,6-bis(3,4-dimethoxyphenyl)-4,5-dimethyl-1-phenyl-4H-pyridazine is COc1ccc(C2=NN(c3ccccc3)C(c3ccc(OC)c(OC)c3)=C(C)C2C)cc1OC.
What is the InChIKey of 3,6-bis(3,4-dimethoxyphenyl)-4,5-dimethyl-1-phenyl-4H-pyridazine?
The InChIKey is TVRFHBOWMVZYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4/c1-18-19(2)28(21-13-15-24(32-4)26(17-21)34-6)30(22-10-8-7-9-11-22)29-27(18)20-12-14-23(31-3)25(16-20)33-5/h7-18H,1-6H3.
What are the key properties of 3,6-bis(3,4-dimethoxyphenyl)-4,5-dimethyl-1-phenyl-4H-pyridazine?
3,6-bis(3,4-dimethoxyphenyl)-4,5-dimethyl-1-phenyl-4H-pyridazine has a molecular weight of 458.56 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(3,4-dimethoxyphenyl)-4,5-dimethyl-1-phenyl-4H-pyridazine is sourced from PubChem (CID 14003929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).