methyl 4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)benzoate

C24H18N2O2 — CID 101467296

IUPACmethyl 4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)benzoate
SMILESCOC(=O)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C24H18N2O2/c1-28-24(27)19-12-10-17(11-13-19)20-15-22(18-7-3-2-4-8-18)26-23(16-20)21-9-5-6-14-25-21/h2-16H,1H3
InChIKeyVPLIJEXJEIADTB-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.26
Rot. Bonds4

About methyl 4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)benzoate

methyl 4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)benzoate (PubChem CID 101467296) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is methyl 4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)benzoate
PubChem CID101467296
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Namemethyl 4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)benzoate
SMILESCOC(=O)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccn3)c2)cc1
InChIInChI=1S/C24H18N2O2/c1-28-24(27)19-12-10-17(11-13-19)20-15-22(18-7-3-2-4-8-18)26-23(16-20)21-9-5-6-14-25-21/h2-16H,1H3
InChIKeyVPLIJEXJEIADTB-UHFFFAOYSA-N
XLogP5.26
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)benzoate?
The IUPAC name of methyl 4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)benzoate (CID 101467296) is methyl 4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)benzoate.
What is the SMILES notation for methyl 4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)benzoate?
The canonical SMILES for methyl 4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)benzoate is COC(=O)c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccn3)c2)cc1.
What is the InChIKey of methyl 4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)benzoate?
The InChIKey is VPLIJEXJEIADTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2/c1-28-24(27)19-12-10-17(11-13-19)20-15-22(18-7-3-2-4-8-18)26-23(16-20)21-9-5-6-14-25-21/h2-16H,1H3.
What are the key properties of methyl 4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)benzoate?
methyl 4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)benzoate has a molecular weight of 366.42 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)benzoate is sourced from PubChem (CID 101467296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).