4-methyl-2-pyridin-2-yl-6-[2,4,6-tri(propan-2-yl)phenyl]phenolate

C27H32NO- — CID 132850801

IUPAC4-methyl-2-pyridin-2-yl-6-[2,4,6-tri(propan-2-yl)phenyl]phenolate
SMILESCc1cc(-c2ccccn2)c([O-])c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1
InChIInChI=1S/C27H33NO/c1-16(2)20-14-21(17(3)4)26(22(15-20)18(5)6)24-13-19(7)12-23(27(24)29)25-10-8-9-11-28-25/h8-18,29H,1-7H3/p-1
InChIKeyPQZASQAPWCJXRT-UHFFFAOYSA-M
MW386.56 g/mol
LogP7.17
Rot. Bonds5

About 4-methyl-2-pyridin-2-yl-6-[2,4,6-tri(propan-2-yl)phenyl]phenolate

4-methyl-2-pyridin-2-yl-6-[2,4,6-tri(propan-2-yl)phenyl]phenolate (PubChem CID 132850801) has the molecular formula C27H32NO- and a molecular weight of 386.56 g/mol. Its IUPAC name is 4-methyl-2-pyridin-2-yl-6-[2,4,6-tri(propan-2-yl)phenyl]phenolate.

Molecular Properties

Compound Name4-methyl-2-pyridin-2-yl-6-[2,4,6-tri(propan-2-yl)phenyl]phenolate
PubChem CID132850801
Molecular FormulaC27H32NO-
Molecular Weight386.56 g/mol
Exact Mass386.25
IUPAC Name4-methyl-2-pyridin-2-yl-6-[2,4,6-tri(propan-2-yl)phenyl]phenolate
SMILESCc1cc(-c2ccccn2)c([O-])c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1
InChIInChI=1S/C27H33NO/c1-16(2)20-14-21(17(3)4)26(22(15-20)18(5)6)24-13-19(7)12-23(27(24)29)25-10-8-9-11-28-25/h8-18,29H,1-7H3/p-1
InChIKeyPQZASQAPWCJXRT-UHFFFAOYSA-M
XLogP7.17
TPSA35.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.56
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-pyridin-2-yl-6-[2,4,6-tri(propan-2-yl)phenyl]phenolate 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

copper;methanol;2-oxido-3,5-di(propan-2-yl)benzoate;2-pyridin-2-ylpyridine
CID 139142709
2-(2-propan-2-ylphenyl)pyridine
CID 55253137
2-(2-iodo-5-methyl-3-pyridin-2-ylphenyl)pyridine
CID 101459024
2-[2,6-di(propan-2-yl)phenyl]pyridine
CID 141394538
copper;bis(2-hydroxy-3,5-di(propan-2-yl)benzoate);2-pyridin-2-ylpyridine
CID 139206344
bis([2,6-di(propan-2-yl)phenyl]azanide);2-pyridin-2-ylpyridine;toluene;(2,4,6-trimethylphenyl)-[6-[2,4,6-tri(propan-2-yl)phenyl]-2-pyridinyl]azanide;yttrium(3+)
CID 139107344
cesium 2,6-dipyridin-2-ylphenolate
CID 59522981
2-(4-fluoro-2-propan-2-ylphenyl)pyridine
CID 143485897
2-(5-methyl-2-pyridinyl)-4,6-dipyridin-2-yl-1,3,5-triazine
CID 58261693
2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
4-bromo-2-[2,4,6-tri(propan-2-yl)phenyl]pyridine
CID 135149052
2-[5-methyl-2-[(Z)-prop-1-enyl]phenyl]pyridine
CID 90050951

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-2-yl-6-[2,4,6-tri(propan-2-yl)phenyl]phenolate?
The IUPAC name of 4-methyl-2-pyridin-2-yl-6-[2,4,6-tri(propan-2-yl)phenyl]phenolate (CID 132850801) is 4-methyl-2-pyridin-2-yl-6-[2,4,6-tri(propan-2-yl)phenyl]phenolate.
What is the SMILES notation for 4-methyl-2-pyridin-2-yl-6-[2,4,6-tri(propan-2-yl)phenyl]phenolate?
The canonical SMILES for 4-methyl-2-pyridin-2-yl-6-[2,4,6-tri(propan-2-yl)phenyl]phenolate is Cc1cc(-c2ccccn2)c([O-])c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1.
What is the InChIKey of 4-methyl-2-pyridin-2-yl-6-[2,4,6-tri(propan-2-yl)phenyl]phenolate?
The InChIKey is PQZASQAPWCJXRT-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H33NO/c1-16(2)20-14-21(17(3)4)26(22(15-20)18(5)6)24-13-19(7)12-23(27(24)29)25-10-8-9-11-28-25/h8-18,29H,1-7H3/p-1.
What are the key properties of 4-methyl-2-pyridin-2-yl-6-[2,4,6-tri(propan-2-yl)phenyl]phenolate?
4-methyl-2-pyridin-2-yl-6-[2,4,6-tri(propan-2-yl)phenyl]phenolate has a molecular weight of 386.56 g/mol, XLogP of 7.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-2-yl-6-[2,4,6-tri(propan-2-yl)phenyl]phenolate is sourced from PubChem (CID 132850801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).