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

C32H34F2N2 — CID 155908959

IUPAC2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-4-methyl-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine
SMILESCc1ccnc(-c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc2-c2nccc(C)c2F)c1F
InChIInChI=1S/C32H34F2N2/c1-19-13-15-35-29(27(19)33)25-17-21(31(3,4)5)9-11-23(25)24-12-10-22(32(6,7)8)18-26(24)30-28(34)20(2)14-16-36-30/h9-18H,1-8H3
InChIKeyCLXBIKQLPZKXAY-UHFFFAOYSA-N
MW484.63 g/mol
LogP8.97
Rot. Bonds3

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

2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-4-methyl-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine (PubChem CID 155908959) has the molecular formula C32H34F2N2 and a molecular weight of 484.63 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-4-methyl-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine.

Molecular Properties

Compound Name2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-4-methyl-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine
PubChem CID155908959
Molecular FormulaC32H34F2N2
Molecular Weight484.63 g/mol
Exact Mass484.27
IUPAC Name2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-4-methyl-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine
SMILESCc1ccnc(-c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc2-c2nccc(C)c2F)c1F
InChIInChI=1S/C32H34F2N2/c1-19-13-15-35-29(27(19)33)25-17-21(31(3,4)5)9-11-23(25)24-12-10-22(32(6,7)8)18-26(24)30-28(34)20(2)14-16-36-30/h9-18H,1-8H3
InChIKeyCLXBIKQLPZKXAY-UHFFFAOYSA-N
XLogP8.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.63
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

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BC-1215
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5-[4-Fluoro-3-(3-fluoropyridin-2-yl)phenyl]-3-(2-fluorophenyl)-pyridazine
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5-[3-(3,5-Difluoropyridin-2-yl)-4-fluorophenyl]-3-(2-fluorophenyl)pyridazine
CID 10474944
3-(2,6-Difluorophenyl)-5-[4-fluoro-3-(3-fluoropyridin-2-yl)phenyl]pyridazine
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CID 9996767
2-(4-tert-Butylphenyl)pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-4-methyl-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine?
The IUPAC name of 2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-4-methyl-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine (CID 155908959) is 2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-4-methyl-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine.
What is the SMILES notation for 2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-4-methyl-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine?
The canonical SMILES for 2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-4-methyl-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine is Cc1ccnc(-c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc2-c2nccc(C)c2F)c1F.
What is the InChIKey of 2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-4-methyl-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine?
The InChIKey is CLXBIKQLPZKXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F2N2/c1-19-13-15-35-29(27(19)33)25-17-21(31(3,4)5)9-11-23(25)24-12-10-22(32(6,7)8)18-26(24)30-28(34)20(2)14-16-36-30/h9-18H,1-8H3.
What are the key properties of 2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-4-methyl-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine?
2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-4-methyl-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine has a molecular weight of 484.63 g/mol, XLogP of 8.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-4-methyl-2-pyridinyl)phenyl]phenyl]-3-fluoro-4-methylpyridine is sourced from PubChem (CID 155908959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).