3-methyl-2-[2-[2-(3-methyl-2-pyridinyl)-4-(phenylmethoxymethyl)phenyl]-5-(phenylmethoxymethyl)phenyl]pyridine

C40H36N2O2 — CID 155908948

IUPAC3-methyl-2-[2-[2-(3-methyl-2-pyridinyl)-4-(phenylmethoxymethyl)phenyl]-5-(phenylmethoxymethyl)phenyl]pyridine
SMILESCc1cccnc1-c1cc(COCc2ccccc2)ccc1-c1ccc(COCc2ccccc2)cc1-c1ncccc1C
InChIInChI=1S/C40H36N2O2/c1-29-11-9-21-41-39(29)37-23-33(27-43-25-31-13-5-3-6-14-31)17-19-35(37)36-20-18-34(28-44-26-32-15-7-4-8-16-32)24-38(36)40-30(2)12-10-22-42-40/h3-24H,25-28H2,1-2H3
InChIKeyWFOJROXWEUZMOD-UHFFFAOYSA-N
MW576.74 g/mol
LogP9.53
Rot. Bonds11

About 3-methyl-2-[2-[2-(3-methyl-2-pyridinyl)-4-(phenylmethoxymethyl)phenyl]-5-(phenylmethoxymethyl)phenyl]pyridine

3-methyl-2-[2-[2-(3-methyl-2-pyridinyl)-4-(phenylmethoxymethyl)phenyl]-5-(phenylmethoxymethyl)phenyl]pyridine (PubChem CID 155908948) has the molecular formula C40H36N2O2 and a molecular weight of 576.74 g/mol. Its IUPAC name is 3-methyl-2-[2-[2-(3-methyl-2-pyridinyl)-4-(phenylmethoxymethyl)phenyl]-5-(phenylmethoxymethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-methyl-2-[2-[2-(3-methyl-2-pyridinyl)-4-(phenylmethoxymethyl)phenyl]-5-(phenylmethoxymethyl)phenyl]pyridine
PubChem CID155908948
Molecular FormulaC40H36N2O2
Molecular Weight576.74 g/mol
Exact Mass576.28
IUPAC Name3-methyl-2-[2-[2-(3-methyl-2-pyridinyl)-4-(phenylmethoxymethyl)phenyl]-5-(phenylmethoxymethyl)phenyl]pyridine
SMILESCc1cccnc1-c1cc(COCc2ccccc2)ccc1-c1ccc(COCc2ccccc2)cc1-c1ncccc1C
InChIInChI=1S/C40H36N2O2/c1-29-11-9-21-41-39(29)37-23-33(27-43-25-31-13-5-3-6-14-31)17-19-35(37)36-20-18-34(28-44-26-32-15-7-4-8-16-32)24-38(36)40-30(2)12-10-22-42-40/h3-24H,25-28H2,1-2H3
InChIKeyWFOJROXWEUZMOD-UHFFFAOYSA-N
XLogP9.53
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.74
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-Phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 58993510
8-[[4-(2-Benzhydryloxyethyl)piperidin-1-yl]methyl]quinoline
CID 44529539
1'-[(3-pyridin-2-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561300
Pyridine, 2-(alpha-(2-(dimethylamino)ethoxy)-alpha,3,4-trimethylbenzyl)-, hydrochloride
CID 3057338
4-[[1-(Anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline
CID 4227474
2-[4-Fluoro-2-[5-fluoro-3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylphenyl]-6-[(4-methoxyphenyl)methyl]phenyl]pyridine
CID 134833888
2-(5'-(Benzyloxy)-4,4'-di-tert-butyl-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908907
6,6'-(5,5'-Bis(benzyloxy)-4,4'-di-tert-butyl-[1,1'-biphenyl]-2,2'-diyl)bis(3-fluoropyridine)
CID 155908908
2-(4-((Benzyloxy)methyl)-4'-(tert-butyl)-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-methylpyridine
CID 155908964
4-[(R)-[(2S,4S,5R)-1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline
CID 10886584
4-[(R)-[(2S)-1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline
CID 58582265
4-[(R)-[1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline
CID 58678362

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-[2-(3-methyl-2-pyridinyl)-4-(phenylmethoxymethyl)phenyl]-5-(phenylmethoxymethyl)phenyl]pyridine?
The IUPAC name of 3-methyl-2-[2-[2-(3-methyl-2-pyridinyl)-4-(phenylmethoxymethyl)phenyl]-5-(phenylmethoxymethyl)phenyl]pyridine (CID 155908948) is 3-methyl-2-[2-[2-(3-methyl-2-pyridinyl)-4-(phenylmethoxymethyl)phenyl]-5-(phenylmethoxymethyl)phenyl]pyridine.
What is the SMILES notation for 3-methyl-2-[2-[2-(3-methyl-2-pyridinyl)-4-(phenylmethoxymethyl)phenyl]-5-(phenylmethoxymethyl)phenyl]pyridine?
The canonical SMILES for 3-methyl-2-[2-[2-(3-methyl-2-pyridinyl)-4-(phenylmethoxymethyl)phenyl]-5-(phenylmethoxymethyl)phenyl]pyridine is Cc1cccnc1-c1cc(COCc2ccccc2)ccc1-c1ccc(COCc2ccccc2)cc1-c1ncccc1C.
What is the InChIKey of 3-methyl-2-[2-[2-(3-methyl-2-pyridinyl)-4-(phenylmethoxymethyl)phenyl]-5-(phenylmethoxymethyl)phenyl]pyridine?
The InChIKey is WFOJROXWEUZMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N2O2/c1-29-11-9-21-41-39(29)37-23-33(27-43-25-31-13-5-3-6-14-31)17-19-35(37)36-20-18-34(28-44-26-32-15-7-4-8-16-32)24-38(36)40-30(2)12-10-22-42-40/h3-24H,25-28H2,1-2H3.
What are the key properties of 3-methyl-2-[2-[2-(3-methyl-2-pyridinyl)-4-(phenylmethoxymethyl)phenyl]-5-(phenylmethoxymethyl)phenyl]pyridine?
3-methyl-2-[2-[2-(3-methyl-2-pyridinyl)-4-(phenylmethoxymethyl)phenyl]-5-(phenylmethoxymethyl)phenyl]pyridine has a molecular weight of 576.74 g/mol, XLogP of 9.53, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-[2-(3-methyl-2-pyridinyl)-4-(phenylmethoxymethyl)phenyl]-5-(phenylmethoxymethyl)phenyl]pyridine is sourced from PubChem (CID 155908948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).