methyl 5,6-diphenyl-3-(4-phenylphenoxy)pyridazine-4-carboxylate

C30H22N2O3 — CID 20998270

IUPACmethyl 5,6-diphenyl-3-(4-phenylphenoxy)pyridazine-4-carboxylate
SMILESCOC(=O)c1c(Oc2ccc(-c3ccccc3)cc2)nnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H22N2O3/c1-34-30(33)27-26(23-13-7-3-8-14-23)28(24-15-9-4-10-16-24)31-32-29(27)35-25-19-17-22(18-20-25)21-11-5-2-6-12-21/h2-20H,1H3
InChIKeyBHBFNOIPVTXCOA-UHFFFAOYSA-N
MW458.52 g/mol
LogP7.06
Rot. Bonds6

About methyl 5,6-diphenyl-3-(4-phenylphenoxy)pyridazine-4-carboxylate

methyl 5,6-diphenyl-3-(4-phenylphenoxy)pyridazine-4-carboxylate (PubChem CID 20998270) has the molecular formula C30H22N2O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is methyl 5,6-diphenyl-3-(4-phenylphenoxy)pyridazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5,6-diphenyl-3-(4-phenylphenoxy)pyridazine-4-carboxylate
PubChem CID20998270
Molecular FormulaC30H22N2O3
Molecular Weight458.52 g/mol
Exact Mass458.16
IUPAC Namemethyl 5,6-diphenyl-3-(4-phenylphenoxy)pyridazine-4-carboxylate
SMILESCOC(=O)c1c(Oc2ccc(-c3ccccc3)cc2)nnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H22N2O3/c1-34-30(33)27-26(23-13-7-3-8-14-23)28(24-15-9-4-10-16-24)31-32-29(27)35-25-19-17-22(18-20-25)21-11-5-2-6-12-21/h2-20H,1H3
InChIKeyBHBFNOIPVTXCOA-UHFFFAOYSA-N
XLogP7.06
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5,6-diphenyl-3-(4-phenylphenoxy)pyridazine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(4-phenylphenoxy)benzoate
CID 15230373
methyl 4-(3-phenylquinoxalin-2-yl)oxybenzoate
CID 100921620
methyl 2,5-dimethyl-4-(4-phenylphenyl)-1H-pyrrole-3-carboxylate
CID 23030382
methyl 5-bromo-3-phenyl-1,2-thiazole-4-carboxylate
CID 121006068
N-[4-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]benzamide
CID 2900595
methyl 3-oxo-2-(2-oxopropyl)-5,6-diphenylpyridazine-4-carboxylate
CID 7731852
dimethyl 3-[4-(2-chlorophenoxy)phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169388413
dimethyl 2,6-dimethyl-4-(3-phenoxyphenyl)pyridine-3,5-dicarboxylate
CID 19232495
methyl 4-methyl-6-phenylpyrimidine-5-carboxylate
CID 135045136
methyl 1-methyl-3-phenylisoquinoline-4-carboxylate
CID 138972318
methyl 4-(4-methoxyphthalazin-1-yl)benzoate
CID 23993030
methyl 2,6-dimethyl-4-phenylbenzoate
CID 10376998

Frequently Asked Questions

What is the IUPAC name of methyl 5,6-diphenyl-3-(4-phenylphenoxy)pyridazine-4-carboxylate?
The IUPAC name of methyl 5,6-diphenyl-3-(4-phenylphenoxy)pyridazine-4-carboxylate (CID 20998270) is methyl 5,6-diphenyl-3-(4-phenylphenoxy)pyridazine-4-carboxylate.
What is the SMILES notation for methyl 5,6-diphenyl-3-(4-phenylphenoxy)pyridazine-4-carboxylate?
The canonical SMILES for methyl 5,6-diphenyl-3-(4-phenylphenoxy)pyridazine-4-carboxylate is COC(=O)c1c(Oc2ccc(-c3ccccc3)cc2)nnc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of methyl 5,6-diphenyl-3-(4-phenylphenoxy)pyridazine-4-carboxylate?
The InChIKey is BHBFNOIPVTXCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O3/c1-34-30(33)27-26(23-13-7-3-8-14-23)28(24-15-9-4-10-16-24)31-32-29(27)35-25-19-17-22(18-20-25)21-11-5-2-6-12-21/h2-20H,1H3.
What are the key properties of methyl 5,6-diphenyl-3-(4-phenylphenoxy)pyridazine-4-carboxylate?
methyl 5,6-diphenyl-3-(4-phenylphenoxy)pyridazine-4-carboxylate has a molecular weight of 458.52 g/mol, XLogP of 7.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6-diphenyl-3-(4-phenylphenoxy)pyridazine-4-carboxylate is sourced from PubChem (CID 20998270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).