2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylmethoxyphenyl]phenyl]-3-fluoro-4-methylpyridine

C38H38F2N2O — CID 155908907

IUPAC2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylmethoxyphenyl]phenyl]-3-fluoro-4-methylpyridine
SMILESCc1ccnc(-c2cc(C(C)(C)C)ccc2-c2cc(OCc3ccccc3)c(C(C)(C)C)cc2-c2ccc(F)cn2)c1F
InChIInChI=1S/C38H38F2N2O/c1-24-17-18-41-36(35(24)40)31-19-26(37(2,3)4)13-15-28(31)29-21-34(43-23-25-11-9-8-10-12-25)32(38(5,6)7)20-30(29)33-16-14-27(39)22-42-33/h8-22H,23H2,1-7H3
InChIKeySAMXCMMJQYWQCA-UHFFFAOYSA-N
MW576.73 g/mol
LogP10.24
Rot. Bonds6

About 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylmethoxyphenyl]phenyl]-3-fluoro-4-methylpyridine

2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylmethoxyphenyl]phenyl]-3-fluoro-4-methylpyridine (PubChem CID 155908907) has the molecular formula C38H38F2N2O and a molecular weight of 576.73 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylmethoxyphenyl]phenyl]-3-fluoro-4-methylpyridine.

Molecular Properties

Compound Name2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylmethoxyphenyl]phenyl]-3-fluoro-4-methylpyridine
PubChem CID155908907
Molecular FormulaC38H38F2N2O
Molecular Weight576.73 g/mol
Exact Mass576.30
IUPAC Name2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylmethoxyphenyl]phenyl]-3-fluoro-4-methylpyridine
SMILESCc1ccnc(-c2cc(C(C)(C)C)ccc2-c2cc(OCc3ccccc3)c(C(C)(C)C)cc2-c2ccc(F)cn2)c1F
InChIInChI=1S/C38H38F2N2O/c1-24-17-18-41-36(35(24)40)31-19-26(37(2,3)4)13-15-28(31)29-21-34(43-23-25-11-9-8-10-12-25)32(38(5,6)7)20-30(29)33-16-14-27(39)22-42-33/h8-22H,23H2,1-7H3
InChIKeySAMXCMMJQYWQCA-UHFFFAOYSA-N
XLogP10.24
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.73
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylmethoxyphenyl]phenyl]-3-fluoro-4-methylpyridine with MolForge

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Related Compounds

3-(6-Ethoxynaphthalen-2-yl)pyridine
CID 11557864
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CID 42618154
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CID 129900135
3-(6-Methoxynaphth-2-ylmethylene)anabaseine
CID 15982063
(2R,3S,4aR,10aR)-4a-Ethyl-7-(2-methylpyridin-3-ylmethoxy)-2-phenyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-2,3-diol
CID 25235364
(4S)-4'-fluoro-7'-(2-fluoro-3-pyridinyl)-2'-pyridin-2-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 53464819
5,7-Dimethyl-6-[4-(morpholinomethyl)phenyl]-4-(3-pyridyl)chromen-2-one
CID 71549074
8-[4-[2-(2-Isoquinolin-8-ylphenoxy)ethyl]phenyl]isoquinoline
CID 162644445
6-Phenyl-7-(piperidin-4-ylmethoxy)isoquinoline
CID 42618157
6-Phenyl-7-(pyridin-3-ylmethoxy)isoquinoline
CID 42618161
6-Phenyl-7-(pyridin-4-ylmethoxy)isoquinoline
CID 42618162
3-(2-Methoxy-6-pyridin-3-yl-1-naphthyl)pyridine
CID 11544136

Frequently Asked Questions

What is the IUPAC name of 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylmethoxyphenyl]phenyl]-3-fluoro-4-methylpyridine?
The IUPAC name of 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylmethoxyphenyl]phenyl]-3-fluoro-4-methylpyridine (CID 155908907) is 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylmethoxyphenyl]phenyl]-3-fluoro-4-methylpyridine.
What is the SMILES notation for 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylmethoxyphenyl]phenyl]-3-fluoro-4-methylpyridine?
The canonical SMILES for 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylmethoxyphenyl]phenyl]-3-fluoro-4-methylpyridine is Cc1ccnc(-c2cc(C(C)(C)C)ccc2-c2cc(OCc3ccccc3)c(C(C)(C)C)cc2-c2ccc(F)cn2)c1F.
What is the InChIKey of 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylmethoxyphenyl]phenyl]-3-fluoro-4-methylpyridine?
The InChIKey is SAMXCMMJQYWQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38F2N2O/c1-24-17-18-41-36(35(24)40)31-19-26(37(2,3)4)13-15-28(31)29-21-34(43-23-25-11-9-8-10-12-25)32(38(5,6)7)20-30(29)33-16-14-27(39)22-42-33/h8-22H,23H2,1-7H3.
What are the key properties of 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylmethoxyphenyl]phenyl]-3-fluoro-4-methylpyridine?
2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylmethoxyphenyl]phenyl]-3-fluoro-4-methylpyridine has a molecular weight of 576.73 g/mol, XLogP of 10.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-phenylmethoxyphenyl]phenyl]-3-fluoro-4-methylpyridine is sourced from PubChem (CID 155908907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).