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

C30H30F2N2 — CID 155908900

IUPAC2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine
SMILESCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2-c2ncccc2F)c(-c2ccc(F)cn2)c1
InChIInChI=1S/C30H30F2N2/c1-29(2,3)19-9-12-22(24(16-19)27-14-11-21(31)18-34-27)23-13-10-20(30(4,5)6)17-25(23)28-26(32)8-7-15-33-28/h7-18H,1-6H3
InChIKeyIRUQJOJOUUOOJM-UHFFFAOYSA-N
MW456.58 g/mol
LogP8.35
Rot. Bonds3

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

2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine (PubChem CID 155908900) has the molecular formula C30H30F2N2 and a molecular weight of 456.58 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine.

Molecular Properties

Compound Name2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine
PubChem CID155908900
Molecular FormulaC30H30F2N2
Molecular Weight456.58 g/mol
Exact Mass456.24
IUPAC Name2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine
SMILESCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2-c2ncccc2F)c(-c2ccc(F)cn2)c1
InChIInChI=1S/C30H30F2N2/c1-29(2,3)19-9-12-22(24(16-19)27-14-11-21(31)18-34-27)23-13-10-20(30(4,5)6)17-25(23)28-26(32)8-7-15-33-28/h7-18H,1-6H3
InChIKeyIRUQJOJOUUOOJM-UHFFFAOYSA-N
XLogP8.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.58
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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BC-1215
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CID 80259
3-(Naphthalen-2-yl)pyridine
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4-[6-(4-Fluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine
CID 25033735
3-(3-Benzylnaphthalen-2-yl)pyridine
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4-((3'',4''-Difluorobiphenyl-4-yl)methyl)pyridine
CID 46901616
4-(4''-Fluoro-biphenyl-4-ylmethyl)pyridine
CID 49864196
5-[4-Fluoro-3-(3-fluoropyridin-2-yl)phenyl]-3-(2-fluorophenyl)-pyridazine
CID 10384086
5-[3-(3,5-Difluoropyridin-2-yl)-4-fluorophenyl]-3-(2-fluorophenyl)pyridazine
CID 10474944

Frequently Asked Questions

What is the IUPAC name of 2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine?
The IUPAC name of 2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine (CID 155908900) is 2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine.
What is the SMILES notation for 2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine?
The canonical SMILES for 2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine is CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2-c2ncccc2F)c(-c2ccc(F)cn2)c1.
What is the InChIKey of 2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine?
The InChIKey is IRUQJOJOUUOOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N2/c1-29(2,3)19-9-12-22(24(16-19)27-14-11-21(31)18-34-27)23-13-10-20(30(4,5)6)17-25(23)28-26(32)8-7-15-33-28/h7-18H,1-6H3.
What are the key properties of 2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine?
2-[5-tert-butyl-2-[4-tert-butyl-2-(3-fluoro-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine has a molecular weight of 456.58 g/mol, XLogP of 8.35, 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-2-pyridinyl)phenyl]phenyl]-5-fluoropyridine is sourced from PubChem (CID 155908900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).