2-[4-fluoro-2-[5-fluoro-3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylphenyl]-6-[(4-methoxyphenyl)methyl]phenyl]pyridine

C38H30F2N2O2 — CID 134833888

IUPAC2-[4-fluoro-2-[5-fluoro-3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylphenyl]-6-[(4-methoxyphenyl)methyl]phenyl]pyridine
SMILESCOc1ccc(Cc2cc(F)cc(-c3cc(F)cc(Cc4ccc(OC)cc4)c3-c3ccccn3)c2-c2ccccn2)cc1
InChIInChI=1S/C38H30F2N2O2/c1-43-31-13-9-25(10-14-31)19-27-21-29(39)23-33(37(27)35-7-3-5-17-41-35)34-24-30(40)22-28(38(34)36-8-4-6-18-42-36)20-26-11-15-32(44-2)16-12-26/h3-18,21-24H,19-20H2,1-2H3
InChIKeyWWBKHPILGNJPLR-UHFFFAOYSA-N
MW584.67 g/mol
LogP8.95
Rot. Bonds9

About 2-[4-fluoro-2-[5-fluoro-3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylphenyl]-6-[(4-methoxyphenyl)methyl]phenyl]pyridine

2-[4-fluoro-2-[5-fluoro-3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylphenyl]-6-[(4-methoxyphenyl)methyl]phenyl]pyridine (PubChem CID 134833888) has the molecular formula C38H30F2N2O2 and a molecular weight of 584.67 g/mol. Its IUPAC name is 2-[4-fluoro-2-[5-fluoro-3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylphenyl]-6-[(4-methoxyphenyl)methyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[4-fluoro-2-[5-fluoro-3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylphenyl]-6-[(4-methoxyphenyl)methyl]phenyl]pyridine
PubChem CID134833888
Molecular FormulaC38H30F2N2O2
Molecular Weight584.67 g/mol
Exact Mass584.23
IUPAC Name2-[4-fluoro-2-[5-fluoro-3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylphenyl]-6-[(4-methoxyphenyl)methyl]phenyl]pyridine
SMILESCOc1ccc(Cc2cc(F)cc(-c3cc(F)cc(Cc4ccc(OC)cc4)c3-c3ccccn3)c2-c2ccccn2)cc1
InChIInChI=1S/C38H30F2N2O2/c1-43-31-13-9-25(10-14-31)19-27-21-29(39)23-33(37(27)35-7-3-5-17-41-35)34-24-30(40)22-28(38(34)36-8-4-6-18-42-36)20-26-11-15-32(44-2)16-12-26/h3-18,21-24H,19-20H2,1-2H3
InChIKeyWWBKHPILGNJPLR-UHFFFAOYSA-N
XLogP8.95
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.67
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-Fluoro-4-methoxyphenyl)-1-(pyridin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 25033731
3-(3-Benzyl-6-methoxynaphthalen-2-yl)pyridine
CID 25129117
3-[3-(4-Methoxybenzyl)naphthalen-2-yl]pyridine
CID 25130848
2-Methyl-3-({[3'-(Piperidin-4-Yl)[1,1'-Biphenyl]-4-Yl]oxy}methyl)pyridine
CID 129900135
4-[6-(4-methoxyphenyl)-1H-inden-3-yl]pyridine
CID 25033656
4-[4-(6-Methoxynaphthalen-2-yl)benzyl]pyridine
CID 46901928
2-(2-Fluorophenyl)-5-[(5-methoxy-3-pyridinyl)methyl]pyridine
CID 145981780
Methyl 3-phenyl-7-isoquinolinyl ether
CID 1235204
2-(4-Methoxyphenyl)-5-pentylpyridine
CID 2058335
3-(4-Methoxyphenyl)isoquinoline
CID 2752930
4-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 4105676
3-(4-Methoxybenzylidene)anabaseine
CID 11601561

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-[5-fluoro-3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylphenyl]-6-[(4-methoxyphenyl)methyl]phenyl]pyridine?
The IUPAC name of 2-[4-fluoro-2-[5-fluoro-3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylphenyl]-6-[(4-methoxyphenyl)methyl]phenyl]pyridine (CID 134833888) is 2-[4-fluoro-2-[5-fluoro-3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylphenyl]-6-[(4-methoxyphenyl)methyl]phenyl]pyridine.
What is the SMILES notation for 2-[4-fluoro-2-[5-fluoro-3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylphenyl]-6-[(4-methoxyphenyl)methyl]phenyl]pyridine?
The canonical SMILES for 2-[4-fluoro-2-[5-fluoro-3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylphenyl]-6-[(4-methoxyphenyl)methyl]phenyl]pyridine is COc1ccc(Cc2cc(F)cc(-c3cc(F)cc(Cc4ccc(OC)cc4)c3-c3ccccn3)c2-c2ccccn2)cc1.
What is the InChIKey of 2-[4-fluoro-2-[5-fluoro-3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylphenyl]-6-[(4-methoxyphenyl)methyl]phenyl]pyridine?
The InChIKey is WWBKHPILGNJPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30F2N2O2/c1-43-31-13-9-25(10-14-31)19-27-21-29(39)23-33(37(27)35-7-3-5-17-41-35)34-24-30(40)22-28(38(34)36-8-4-6-18-42-36)20-26-11-15-32(44-2)16-12-26/h3-18,21-24H,19-20H2,1-2H3.
What are the key properties of 2-[4-fluoro-2-[5-fluoro-3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylphenyl]-6-[(4-methoxyphenyl)methyl]phenyl]pyridine?
2-[4-fluoro-2-[5-fluoro-3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylphenyl]-6-[(4-methoxyphenyl)methyl]phenyl]pyridine has a molecular weight of 584.67 g/mol, XLogP of 8.95, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-[5-fluoro-3-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylphenyl]-6-[(4-methoxyphenyl)methyl]phenyl]pyridine is sourced from PubChem (CID 134833888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).