4-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,6-dipyridin-2-ylpyridine

C36H29N3O3 — CID 101350116

IUPAC4-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(COc2cc(COc3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C36H29N3O3/c1-3-11-27(12-4-1)24-40-30-19-29(20-31(21-30)41-25-28-13-5-2-6-14-28)26-42-32-22-35(33-15-7-9-17-37-33)39-36(23-32)34-16-8-10-18-38-34/h1-23H,24-26H2
InChIKeyJSIYMGUVQQXQSF-UHFFFAOYSA-N
MW551.65 g/mol
LogP7.94
Rot. Bonds11

About 4-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,6-dipyridin-2-ylpyridine

4-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,6-dipyridin-2-ylpyridine (PubChem CID 101350116) has the molecular formula C36H29N3O3 and a molecular weight of 551.65 g/mol. Its IUPAC name is 4-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,6-dipyridin-2-ylpyridine
PubChem CID101350116
Molecular FormulaC36H29N3O3
Molecular Weight551.65 g/mol
Exact Mass551.22
IUPAC Name4-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(COc2cc(COc3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C36H29N3O3/c1-3-11-27(12-4-1)24-40-30-19-29(20-31(21-30)41-25-28-13-5-2-6-14-28)26-42-32-22-35(33-15-7-9-17-37-33)39-36(23-32)34-16-8-10-18-38-34/h1-23H,24-26H2
InChIKeyJSIYMGUVQQXQSF-UHFFFAOYSA-N
XLogP7.94
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,6-dipyridin-2-ylpyridine with MolForge

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Related Compounds

7-(3,5-Dimethoxyphenyl)-1,6-naphthyridine
CID 44142284
7-(3,5-Dimethoxyphenyl)-2-methyl-1,6-naphthyridine
CID 44434752
3-(2,2-Dipyridin-3-ylethyl)-2-(3-methoxyphenyl)pyridine
CID 66829310
N-[[3,5-bis[3-(quinolin-4-ylamino)propoxy]phenyl]methyl]-N'-quinolin-4-ylpropane-1,3-diamine
CID 44424242
N'-[[3,5-bis[3-(quinolin-4-ylamino)propoxy]phenyl]methyl]-N-quinolin-4-yl-N'-[3-(quinolin-4-ylamino)propyl]pentane-1,5-diamine
CID 44424257
2,4-dipyridin-2-yl-5H-chromeno[4,3-b]pyridine
CID 53377306
4-(3-Methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)pyridine
CID 71450079
Ethanol, 2-(4-[2,2':6',2''-terpyridin]-4'-ylphenoxy)-
CID 368990
Quinoline, 6-(3-(4-phenyl-1-piperazinyl)propoxy)-
CID 3069164
7-[4-(4-Fluoro-phenyl)-1-methyl-butyl]-5-methoxy-10,10-dimethyl-3-pyridin-2-ylmethyl-2,3,4,10-tetrahydro-1H-9-oxa-3-aza-phenanthrene
CID 14983487
4-phenyl-2-pyridin-2-yl-5H-chromeno[4,3-b]pyridine
CID 53377304
(E)-1-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)-N-(2-phenylethoxy)methanimine
CID 156580852

Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,6-dipyridin-2-ylpyridine (CID 101350116) is 4-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,6-dipyridin-2-ylpyridine is c1ccc(COc2cc(COc3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 4-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,6-dipyridin-2-ylpyridine?
The InChIKey is JSIYMGUVQQXQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29N3O3/c1-3-11-27(12-4-1)24-40-30-19-29(20-31(21-30)41-25-28-13-5-2-6-14-28)26-42-32-22-35(33-15-7-9-17-37-33)39-36(23-32)34-16-8-10-18-38-34/h1-23H,24-26H2.
What are the key properties of 4-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,6-dipyridin-2-ylpyridine?
4-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,6-dipyridin-2-ylpyridine has a molecular weight of 551.65 g/mol, XLogP of 7.94, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 101350116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).