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

C32H32F4N2 — CID 155908906

IUPAC2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-3-fluoro-4-methylpyridine
SMILESCc1ccnc(-c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc2-c2ccc(C(F)(F)F)cn2)c1F
InChIInChI=1S/C32H32F4N2/c1-19-14-15-37-29(28(19)33)26-17-21(31(5,6)7)9-12-24(26)23-11-8-20(30(2,3)4)16-25(23)27-13-10-22(18-38-27)32(34,35)36/h8-18H,1-7H3
InChIKeyFJACTRRKNPTNAF-UHFFFAOYSA-N
MW520.61 g/mol
LogP9.54
Rot. Bonds3

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

2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-3-fluoro-4-methylpyridine (PubChem CID 155908906) has the molecular formula C32H32F4N2 and a molecular weight of 520.61 g/mol. Its IUPAC name is 2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-3-fluoro-4-methylpyridine.

Molecular Properties

Compound Name2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-3-fluoro-4-methylpyridine
PubChem CID155908906
Molecular FormulaC32H32F4N2
Molecular Weight520.61 g/mol
Exact Mass520.25
IUPAC Name2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-3-fluoro-4-methylpyridine
SMILESCc1ccnc(-c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc2-c2ccc(C(F)(F)F)cn2)c1F
InChIInChI=1S/C32H32F4N2/c1-19-14-15-37-29(28(19)33)26-17-21(31(5,6)7)9-12-24(26)23-11-8-20(30(2,3)4)16-25(23)27-13-10-22(18-38-27)32(34,35)36/h8-18H,1-7H3
InChIKeyFJACTRRKNPTNAF-UHFFFAOYSA-N
XLogP9.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.61
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

4,4'-Diphenyl-2,2'-bipyridine
CID 80259
4-[6-(4-Fluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine
CID 25033735
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
3-(2,6-Difluorophenyl)-5-[4-fluoro-3-(3-fluoropyridin-2-yl)phenyl]pyridazine
CID 11646612
1-(2-(1-Benzylpiperidin-4-yl)ethyl)isoquinoline
CID 9996767
4-[6-(3,4-Difluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine
CID 25033658
4-[6-(3,4-Difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine
CID 25033809
2-Phenyl-5-[(5-phenyl-3-pyridinyl)methyl]pyridine
CID 73356736
5-[3-(3,5-Difluoropyridin-2-yl)-4-fluorophenyl]-3-(4-fluorophenyl)pyridazine
CID 10249256
3-(2,4-Difluorophenyl)-5-[3-(3,5-difluoropyridin-2-yl)-4-fluorophenyl]pyridazine
CID 10318718
3-(2,4,6-Trimethylbenzylidene)anabaseine
CID 11536605

Frequently Asked Questions

What is the IUPAC name of 2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-3-fluoro-4-methylpyridine?
The IUPAC name of 2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-3-fluoro-4-methylpyridine (CID 155908906) is 2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-3-fluoro-4-methylpyridine.
What is the SMILES notation for 2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-3-fluoro-4-methylpyridine?
The canonical SMILES for 2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-3-fluoro-4-methylpyridine is Cc1ccnc(-c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc2-c2ccc(C(F)(F)F)cn2)c1F.
What is the InChIKey of 2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-3-fluoro-4-methylpyridine?
The InChIKey is FJACTRRKNPTNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F4N2/c1-19-14-15-37-29(28(19)33)26-17-21(31(5,6)7)9-12-24(26)23-11-8-20(30(2,3)4)16-25(23)27-13-10-22(18-38-27)32(34,35)36/h8-18H,1-7H3.
What are the key properties of 2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-3-fluoro-4-methylpyridine?
2-[5-tert-butyl-2-[4-tert-butyl-2-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-3-fluoro-4-methylpyridine has a molecular weight of 520.61 g/mol, XLogP of 9.54, 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-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]-3-fluoro-4-methylpyridine is sourced from PubChem (CID 155908906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).