4-[3-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]-2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]-2-methylpropoxy]-2,6-dipyridin-2-ylpyridine

C50H39N9O3 — CID 101459998

IUPAC4-[3-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]-2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]-2-methylpropoxy]-2,6-dipyridin-2-ylpyridine
SMILESCC(COc1cc(-c2ccccn2)nc(-c2ccccn2)c1)(COc1cc(-c2ccccn2)nc(-c2ccccn2)c1)COc1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C50H39N9O3/c1-50(32-60-35-26-44(38-14-2-8-20-51-38)57-45(27-35)39-15-3-9-21-52-39,33-61-36-28-46(40-16-4-10-22-53-40)58-47(29-36)41-17-5-11-23-54-41)34-62-37-30-48(42-18-6-12-24-55-42)59-49(31-37)43-19-7-13-25-56-43/h2-31H,32-34H2,1H3
InChIKeyLQOSIFFQLSROID-UHFFFAOYSA-N
MW813.92 g/mol
LogP9.79
Rot. Bonds15

About 4-[3-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]-2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]-2-methylpropoxy]-2,6-dipyridin-2-ylpyridine

4-[3-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]-2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]-2-methylpropoxy]-2,6-dipyridin-2-ylpyridine (PubChem CID 101459998) has the molecular formula C50H39N9O3 and a molecular weight of 813.92 g/mol. Its IUPAC name is 4-[3-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]-2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]-2-methylpropoxy]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-[3-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]-2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]-2-methylpropoxy]-2,6-dipyridin-2-ylpyridine
PubChem CID101459998
Molecular FormulaC50H39N9O3
Molecular Weight813.92 g/mol
Exact Mass813.32
IUPAC Name4-[3-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]-2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]-2-methylpropoxy]-2,6-dipyridin-2-ylpyridine
SMILESCC(COc1cc(-c2ccccn2)nc(-c2ccccn2)c1)(COc1cc(-c2ccccn2)nc(-c2ccccn2)c1)COc1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C50H39N9O3/c1-50(32-60-35-26-44(38-14-2-8-20-51-38)57-45(27-35)39-15-3-9-21-52-39,33-61-36-28-46(40-16-4-10-22-53-40)58-47(29-36)41-17-5-11-23-54-41)34-62-37-30-48(42-18-6-12-24-55-42)59-49(31-37)43-19-7-13-25-56-43/h2-31H,32-34H2,1H3
InChIKeyLQOSIFFQLSROID-UHFFFAOYSA-N
XLogP9.79
TPSA143.70 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500813.92
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-[3-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]-2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]-2-methylpropoxy]-2,6-dipyridin-2-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

4-(2-methoxyethoxy)-2,6-dipyridin-2-ylpyridine
CID 14879099
4-[4-[3-[3,5-bis[3-[3,5-bis[3-(4-tert-butylphenoxy)propoxy]phenoxy]propoxy]phenoxy]propoxy]phenyl]-2,6-dipyridin-2-ylpyridine
CID 101086781
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-2-[4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 100993285
bis(4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine);tetrakis(4-[3-(2,6-dipyridin-2-yl-4-pyridinyl)-5-methylphenyl]-2,6-dipyridin-2-ylpyridine);propane;ruthenium
CID 157164655
propane;2-pyridin-2-ylpyridine
CID 158168510
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 15827510
4-[4-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122221010
2,4,6-tripyridin-2-ylpyrimidine
CID 70005539

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]-2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]-2-methylpropoxy]-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-[3-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]-2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]-2-methylpropoxy]-2,6-dipyridin-2-ylpyridine (CID 101459998) is 4-[3-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]-2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]-2-methylpropoxy]-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-[3-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]-2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]-2-methylpropoxy]-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-[3-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]-2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]-2-methylpropoxy]-2,6-dipyridin-2-ylpyridine is CC(COc1cc(-c2ccccn2)nc(-c2ccccn2)c1)(COc1cc(-c2ccccn2)nc(-c2ccccn2)c1)COc1cc(-c2ccccn2)nc(-c2ccccn2)c1.
What is the InChIKey of 4-[3-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]-2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]-2-methylpropoxy]-2,6-dipyridin-2-ylpyridine?
The InChIKey is LQOSIFFQLSROID-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39N9O3/c1-50(32-60-35-26-44(38-14-2-8-20-51-38)57-45(27-35)39-15-3-9-21-52-39,33-61-36-28-46(40-16-4-10-22-53-40)58-47(29-36)41-17-5-11-23-54-41)34-62-37-30-48(42-18-6-12-24-55-42)59-49(31-37)43-19-7-13-25-56-43/h2-31H,32-34H2,1H3.
What are the key properties of 4-[3-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]-2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]-2-methylpropoxy]-2,6-dipyridin-2-ylpyridine?
4-[3-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]-2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]-2-methylpropoxy]-2,6-dipyridin-2-ylpyridine has a molecular weight of 813.92 g/mol, XLogP of 9.79, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]-2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]-2-methylpropoxy]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 101459998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).