3-[2-(trifluoromethyl)phenyl]-2-[2-[2-[3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]phenyl]pyridine

C36H22F6N2 — CID 58947587

IUPAC3-[2-(trifluoromethyl)phenyl]-2-[2-[2-[3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]phenyl]pyridine
SMILESFC(F)(F)c1ccccc1-c1cccnc1-c1ccccc1-c1ccccc1-c1ncccc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C36H22F6N2/c37-35(38,39)31-19-7-5-13-25(31)29-17-9-21-43-33(29)27-15-3-1-11-23(27)24-12-2-4-16-28(24)34-30(18-10-22-44-34)26-14-6-8-20-32(26)36(40,41)42/h1-22H
InChIKeyHDUUQHXTUPGHDO-UHFFFAOYSA-N
MW596.57 g/mol
LogP10.85
Rot. Bonds5

About 3-[2-(trifluoromethyl)phenyl]-2-[2-[2-[3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]phenyl]pyridine

3-[2-(trifluoromethyl)phenyl]-2-[2-[2-[3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]phenyl]pyridine (PubChem CID 58947587) has the molecular formula C36H22F6N2 and a molecular weight of 596.57 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)phenyl]-2-[2-[2-[3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)phenyl]-2-[2-[2-[3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]phenyl]pyridine
PubChem CID58947587
Molecular FormulaC36H22F6N2
Molecular Weight596.57 g/mol
Exact Mass596.17
IUPAC Name3-[2-(trifluoromethyl)phenyl]-2-[2-[2-[3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]phenyl]pyridine
SMILESFC(F)(F)c1ccccc1-c1cccnc1-c1ccccc1-c1ccccc1-c1ncccc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C36H22F6N2/c37-35(38,39)31-19-7-5-13-25(31)29-17-9-21-43-33(29)27-15-3-1-11-23(27)24-12-2-4-16-28(24)34-30(18-10-22-44-34)26-14-6-8-20-32(26)36(40,41)42/h1-22H
InChIKeyHDUUQHXTUPGHDO-UHFFFAOYSA-N
XLogP10.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.57
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)phenyl]-2-[2-[2-[3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]phenyl]pyridine?
The IUPAC name of 3-[2-(trifluoromethyl)phenyl]-2-[2-[2-[3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]phenyl]pyridine (CID 58947587) is 3-[2-(trifluoromethyl)phenyl]-2-[2-[2-[3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 3-[2-(trifluoromethyl)phenyl]-2-[2-[2-[3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]phenyl]pyridine?
The canonical SMILES for 3-[2-(trifluoromethyl)phenyl]-2-[2-[2-[3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]phenyl]pyridine is FC(F)(F)c1ccccc1-c1cccnc1-c1ccccc1-c1ccccc1-c1ncccc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethyl)phenyl]-2-[2-[2-[3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]phenyl]pyridine?
The InChIKey is HDUUQHXTUPGHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22F6N2/c37-35(38,39)31-19-7-5-13-25(31)29-17-9-21-43-33(29)27-15-3-1-11-23(27)24-12-2-4-16-28(24)34-30(18-10-22-44-34)26-14-6-8-20-32(26)36(40,41)42/h1-22H.
What are the key properties of 3-[2-(trifluoromethyl)phenyl]-2-[2-[2-[3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]phenyl]pyridine?
3-[2-(trifluoromethyl)phenyl]-2-[2-[2-[3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]phenyl]pyridine has a molecular weight of 596.57 g/mol, XLogP of 10.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)phenyl]-2-[2-[2-[3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 58947587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).