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

C32H34F2N2O — CID 155908932

IUPAC2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-methoxyphenyl]phenyl]-3-fluoro-4-methylpyridine
SMILESCOc1cc(-c2ccc(C(C)(C)C)cc2-c2nccc(C)c2F)c(-c2ccc(F)cn2)cc1C(C)(C)C
InChIInChI=1S/C32H34F2N2O/c1-19-13-14-35-30(29(19)34)25-15-20(31(2,3)4)9-11-22(25)23-17-28(37-8)26(32(5,6)7)16-24(23)27-12-10-21(33)18-36-27/h9-18H,1-8H3
InChIKeyAMVBMPJAAXPTBK-UHFFFAOYSA-N
MW500.63 g/mol
LogP8.67
Rot. Bonds4

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

2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-methoxyphenyl]phenyl]-3-fluoro-4-methylpyridine (PubChem CID 155908932) has the molecular formula C32H34F2N2O and a molecular weight of 500.63 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-methoxyphenyl]phenyl]-3-fluoro-4-methylpyridine.

Molecular Properties

Compound Name2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-methoxyphenyl]phenyl]-3-fluoro-4-methylpyridine
PubChem CID155908932
Molecular FormulaC32H34F2N2O
Molecular Weight500.63 g/mol
Exact Mass500.26
IUPAC Name2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-methoxyphenyl]phenyl]-3-fluoro-4-methylpyridine
SMILESCOc1cc(-c2ccc(C(C)(C)C)cc2-c2nccc(C)c2F)c(-c2ccc(F)cn2)cc1C(C)(C)C
InChIInChI=1S/C32H34F2N2O/c1-19-13-14-35-30(29(19)34)25-15-20(31(2,3)4)9-11-22(25)23-17-28(37-8)26(32(5,6)7)16-24(23)27-12-10-21(33)18-36-27/h9-18H,1-8H3
InChIKeyAMVBMPJAAXPTBK-UHFFFAOYSA-N
XLogP8.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.63
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine
CID 25034430
3-(6-Methoxynaphthalen-2-yl)pyridine
CID 11506923
3-(3-Benzyl-6-methoxynaphthalen-2-yl)pyridine
CID 25129117
3-(6-Methoxy-3-methylnaphthalen-2-yl)pyridine
CID 44586852
3-(3-Methoxynaphthalen-2-yl)pyridine
CID 11543201
4-[4-(6-Methoxynaphthalen-2-yl)benzyl]pyridine
CID 46901928
4-[2-(4-Methoxy-1-naphthyl)vinyl]pyridine
CID 764198
Methyl 3-phenyl-7-isoquinolinyl ether
CID 1235204
3-(4-Methoxyphenyl)isoquinoline
CID 2752930
4-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 4105676
(2-Isoquinolin-7-yl-ethyl)-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 10546465
((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-(2-quinolin-6-yl-ethyl)-amine
CID 10713569

Frequently Asked Questions

What is the IUPAC name of 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-methoxyphenyl]phenyl]-3-fluoro-4-methylpyridine?
The IUPAC name of 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-methoxyphenyl]phenyl]-3-fluoro-4-methylpyridine (CID 155908932) is 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-methoxyphenyl]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-methoxyphenyl]phenyl]-3-fluoro-4-methylpyridine?
The canonical SMILES for 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-methoxyphenyl]phenyl]-3-fluoro-4-methylpyridine is COc1cc(-c2ccc(C(C)(C)C)cc2-c2nccc(C)c2F)c(-c2ccc(F)cn2)cc1C(C)(C)C.
What is the InChIKey of 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-methoxyphenyl]phenyl]-3-fluoro-4-methylpyridine?
The InChIKey is AMVBMPJAAXPTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F2N2O/c1-19-13-14-35-30(29(19)34)25-15-20(31(2,3)4)9-11-22(25)23-17-28(37-8)26(32(5,6)7)16-24(23)27-12-10-21(33)18-36-27/h9-18H,1-8H3.
What are the key properties of 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-methoxyphenyl]phenyl]-3-fluoro-4-methylpyridine?
2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-methoxyphenyl]phenyl]-3-fluoro-4-methylpyridine has a molecular weight of 500.63 g/mol, XLogP of 8.67, 4 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-methoxyphenyl]phenyl]-3-fluoro-4-methylpyridine is sourced from PubChem (CID 155908932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).