methyl 5-methyl-1,4,6-triphenyl-2-phenyliminopyridine-3-carboxylate

C32H26N2O2 — CID 68662676

IUPACmethyl 5-methyl-1,4,6-triphenyl-2-phenyliminopyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)c(C)c(-c2ccccc2)n(-c2ccccc2)/c1=N/c1ccccc1
InChIInChI=1S/C32H26N2O2/c1-23-28(24-15-7-3-8-16-24)29(32(35)36-2)31(33-26-19-11-5-12-20-26)34(27-21-13-6-14-22-27)30(23)25-17-9-4-10-18-25/h3-22H,1-2H3/b33-31+
InChIKeyLYZNYAPVRWELED-QOSDPKFLSA-N
MW470.57 g/mol
LogP7.14
Rot. Bonds5

About methyl 5-methyl-1,4,6-triphenyl-2-phenyliminopyridine-3-carboxylate

methyl 5-methyl-1,4,6-triphenyl-2-phenyliminopyridine-3-carboxylate (PubChem CID 68662676) has the molecular formula C32H26N2O2 and a molecular weight of 470.57 g/mol. Its IUPAC name is methyl 5-methyl-1,4,6-triphenyl-2-phenyliminopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-1,4,6-triphenyl-2-phenyliminopyridine-3-carboxylate
PubChem CID68662676
Molecular FormulaC32H26N2O2
Molecular Weight470.57 g/mol
Exact Mass470.20
IUPAC Namemethyl 5-methyl-1,4,6-triphenyl-2-phenyliminopyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)c(C)c(-c2ccccc2)n(-c2ccccc2)/c1=N/c1ccccc1
InChIInChI=1S/C32H26N2O2/c1-23-28(24-15-7-3-8-16-24)29(32(35)36-2)31(33-26-19-11-5-12-20-26)34(27-21-13-6-14-22-27)30(23)25-17-9-4-10-18-25/h3-22H,1-2H3/b33-31+
InChIKeyLYZNYAPVRWELED-QOSDPKFLSA-N
XLogP7.14
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-1,4,6-triphenyl-2-phenyliminopyridine-3-carboxylate?
The IUPAC name of methyl 5-methyl-1,4,6-triphenyl-2-phenyliminopyridine-3-carboxylate (CID 68662676) is methyl 5-methyl-1,4,6-triphenyl-2-phenyliminopyridine-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-1,4,6-triphenyl-2-phenyliminopyridine-3-carboxylate?
The canonical SMILES for methyl 5-methyl-1,4,6-triphenyl-2-phenyliminopyridine-3-carboxylate is COC(=O)c1c(-c2ccccc2)c(C)c(-c2ccccc2)n(-c2ccccc2)/c1=N/c1ccccc1.
What is the InChIKey of methyl 5-methyl-1,4,6-triphenyl-2-phenyliminopyridine-3-carboxylate?
The InChIKey is LYZNYAPVRWELED-QOSDPKFLSA-N. The full InChI is InChI=1S/C32H26N2O2/c1-23-28(24-15-7-3-8-16-24)29(32(35)36-2)31(33-26-19-11-5-12-20-26)34(27-21-13-6-14-22-27)30(23)25-17-9-4-10-18-25/h3-22H,1-2H3/b33-31+.
What are the key properties of methyl 5-methyl-1,4,6-triphenyl-2-phenyliminopyridine-3-carboxylate?
methyl 5-methyl-1,4,6-triphenyl-2-phenyliminopyridine-3-carboxylate has a molecular weight of 470.57 g/mol, XLogP of 7.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-1,4,6-triphenyl-2-phenyliminopyridine-3-carboxylate is sourced from PubChem (CID 68662676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).