dimethyl 1,4-diphenyl-6-phenyliminopyridine-2,3-dicarboxylate

C27H22N2O4 — CID 146675025

IUPACdimethyl 1,4-diphenyl-6-phenyliminopyridine-2,3-dicarboxylate
SMILESCOC(=O)c1c(-c2ccccc2)c/c(=N\c2ccccc2)n(-c2ccccc2)c1C(=O)OC
InChIInChI=1S/C27H22N2O4/c1-32-26(30)24-22(19-12-6-3-7-13-19)18-23(28-20-14-8-4-9-15-20)29(25(24)27(31)33-2)21-16-10-5-11-17-21/h3-18H,1-2H3/b28-23+
InChIKeyXJPOSZVQKGIOSG-WEMUOSSPSA-N
MW438.48 g/mol
LogP4.95
Rot. Bonds5

About dimethyl 1,4-diphenyl-6-phenyliminopyridine-2,3-dicarboxylate

dimethyl 1,4-diphenyl-6-phenyliminopyridine-2,3-dicarboxylate (PubChem CID 146675025) has the molecular formula C27H22N2O4 and a molecular weight of 438.48 g/mol. Its IUPAC name is dimethyl 1,4-diphenyl-6-phenyliminopyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1,4-diphenyl-6-phenyliminopyridine-2,3-dicarboxylate
PubChem CID146675025
Molecular FormulaC27H22N2O4
Molecular Weight438.48 g/mol
Exact Mass438.16
IUPAC Namedimethyl 1,4-diphenyl-6-phenyliminopyridine-2,3-dicarboxylate
SMILESCOC(=O)c1c(-c2ccccc2)c/c(=N\c2ccccc2)n(-c2ccccc2)c1C(=O)OC
InChIInChI=1S/C27H22N2O4/c1-32-26(30)24-22(19-12-6-3-7-13-19)18-23(28-20-14-8-4-9-15-20)29(25(24)27(31)33-2)21-16-10-5-11-17-21/h3-18H,1-2H3/b28-23+
InChIKeyXJPOSZVQKGIOSG-WEMUOSSPSA-N
XLogP4.95
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Dimethyl 2,3,6-triphenyl-3-azabicyclo[5.2.0]nona-1,4,6-triene-4,5-dicarboxylate
CID 10790259
Dimethyl 1-(4-methylphenyl)-4,6,6-triphenylpyridine-2,3-dicarboxylate
CID 102529388
Dimethyl 6-(butylimino)-1,4-diphenyl-1,6-dihydropyridine-2,3-dicarboxylate
CID 146675021
Dimethyl 1-cyclohexyl-6-(cyclohexylimino)-4-phenyl-1,6-dihydropyridine-2,3-dicarboxylate
CID 146675026
Dimethyl 4-phenyl-1-(p-tolyl)-6-(p-tolylimino)-1,6-dihydropyridine-2,3-dicarboxylate
CID 146675039
2,3-Pyridinedicarboxylic acid, 1,6-dihydro-6-oxo-1,4,5-triphenyl-, dimethyl ester
CID 634902
5-benzyl-6-oxo-3-phenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-4-olate
CID 11269034
6-oxo-3,5-diphenyl-2-[(E)-2-phenylethenyl]-1,3-oxazin-3-ium-4-olate
CID 11485432
(6-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate
CID 8608147
Dimethyl 3-(4-methylphenyl)-6-(4-methylphenyl)imino-2-phenylpyrimidine-4,5-dicarboxylate
CID 102414172
Dimethyl 6-(4-methylphenyl)imino-2,3-diphenylpyrimidine-4,5-dicarboxylate
CID 102414173
Dimethyl 2,3-diphenyl-6-phenyliminopyrimidine-4,5-dicarboxylate
CID 102414175

Frequently Asked Questions

What is the IUPAC name of dimethyl 1,4-diphenyl-6-phenyliminopyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 1,4-diphenyl-6-phenyliminopyridine-2,3-dicarboxylate (CID 146675025) is dimethyl 1,4-diphenyl-6-phenyliminopyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 1,4-diphenyl-6-phenyliminopyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 1,4-diphenyl-6-phenyliminopyridine-2,3-dicarboxylate is COC(=O)c1c(-c2ccccc2)c/c(=N\c2ccccc2)n(-c2ccccc2)c1C(=O)OC.
What is the InChIKey of dimethyl 1,4-diphenyl-6-phenyliminopyridine-2,3-dicarboxylate?
The InChIKey is XJPOSZVQKGIOSG-WEMUOSSPSA-N. The full InChI is InChI=1S/C27H22N2O4/c1-32-26(30)24-22(19-12-6-3-7-13-19)18-23(28-20-14-8-4-9-15-20)29(25(24)27(31)33-2)21-16-10-5-11-17-21/h3-18H,1-2H3/b28-23+.
What are the key properties of dimethyl 1,4-diphenyl-6-phenyliminopyridine-2,3-dicarboxylate?
dimethyl 1,4-diphenyl-6-phenyliminopyridine-2,3-dicarboxylate has a molecular weight of 438.48 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1,4-diphenyl-6-phenyliminopyridine-2,3-dicarboxylate is sourced from PubChem (CID 146675025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).