2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-methoxyphenyl]-4-methoxyphenyl]-5-fluoropyridine

C32H34F2N2O2 — CID 155908885

IUPAC2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-methoxyphenyl]-4-methoxyphenyl]-5-fluoropyridine
SMILESCOc1cc(-c2cc(OC)c(C(C)(C)C)cc2-c2ccc(F)cn2)c(-c2ccc(F)cn2)cc1C(C)(C)C
InChIInChI=1S/C32H34F2N2O2/c1-31(2,3)25-13-23(27-11-9-19(33)17-35-27)21(15-29(25)37-7)22-16-30(38-8)26(32(4,5)6)14-24(22)28-12-10-20(34)18-36-28/h9-18H,1-8H3
InChIKeyDFDNPJFCYQPRGA-UHFFFAOYSA-N
MW516.63 g/mol
LogP8.37
Rot. Bonds5

About 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-methoxyphenyl]-4-methoxyphenyl]-5-fluoropyridine

2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-methoxyphenyl]-4-methoxyphenyl]-5-fluoropyridine (PubChem CID 155908885) has the molecular formula C32H34F2N2O2 and a molecular weight of 516.63 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-methoxyphenyl]-4-methoxyphenyl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-methoxyphenyl]-4-methoxyphenyl]-5-fluoropyridine
PubChem CID155908885
Molecular FormulaC32H34F2N2O2
Molecular Weight516.63 g/mol
Exact Mass516.26
IUPAC Name2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-methoxyphenyl]-4-methoxyphenyl]-5-fluoropyridine
SMILESCOc1cc(-c2cc(OC)c(C(C)(C)C)cc2-c2ccc(F)cn2)c(-c2ccc(F)cn2)cc1C(C)(C)C
InChIInChI=1S/C32H34F2N2O2/c1-31(2,3)25-13-23(27-11-9-19(33)17-35-27)21(15-29(25)37-7)22-16-30(38-8)26(32(4,5)6)14-24(22)28-12-10-20(34)18-36-28/h9-18H,1-8H3
InChIKeyDFDNPJFCYQPRGA-UHFFFAOYSA-N
XLogP8.37
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.63
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Palmatine
CID 19009
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
3-(4-Methoxyphenyl)isoquinoline
CID 2752930
(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-7-yl-ethyl)-amine
CID 10737264
3-(7-Methoxynaphthalen-2-yl)pyridine
CID 11708478
3-(6-Methoxynaphth-2-ylmethylene)anabaseine
CID 15982063
6-Fluoro-3-(4-methoxyphenyl)isoquinoline
CID 25058375

Frequently Asked Questions

What is the IUPAC name of 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-methoxyphenyl]-4-methoxyphenyl]-5-fluoropyridine?
The IUPAC name of 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-methoxyphenyl]-4-methoxyphenyl]-5-fluoropyridine (CID 155908885) is 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-methoxyphenyl]-4-methoxyphenyl]-5-fluoropyridine.
What is the SMILES notation for 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-methoxyphenyl]-4-methoxyphenyl]-5-fluoropyridine?
The canonical SMILES for 2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-methoxyphenyl]-4-methoxyphenyl]-5-fluoropyridine is COc1cc(-c2cc(OC)c(C(C)(C)C)cc2-c2ccc(F)cn2)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]-4-methoxyphenyl]-5-fluoropyridine?
The InChIKey is DFDNPJFCYQPRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F2N2O2/c1-31(2,3)25-13-23(27-11-9-19(33)17-35-27)21(15-29(25)37-7)22-16-30(38-8)26(32(4,5)6)14-24(22)28-12-10-20(34)18-36-28/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]-4-methoxyphenyl]-5-fluoropyridine?
2-[5-tert-butyl-2-[4-tert-butyl-2-(5-fluoro-2-pyridinyl)-5-methoxyphenyl]-4-methoxyphenyl]-5-fluoropyridine has a molecular weight of 516.63 g/mol, XLogP of 8.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 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]-4-methoxyphenyl]-5-fluoropyridine is sourced from PubChem (CID 155908885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).