2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine

C44H35F3N4 — CID 59609425

IUPAC2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine
SMILESCCc1cccnc1-c1cccc(-c2cc(-c3ccccc3C(F)(F)F)c(-c3cccc(-c4ncccc4CC)n3)cc2-c2ccccc2C)n1
InChIInChI=1S/C44H35F3N4/c1-4-29-15-12-24-48-42(29)40-22-10-20-38(50-40)35-27-34(32-18-8-9-19-37(32)44(45,46)47)36(26-33(35)31-17-7-6-14-28(31)3)39-21-11-23-41(51-39)43-30(5-2)16-13-25-49-43/h6-27H,4-5H2,1-3H3
InChIKeyBYCOREADZKHGSR-UHFFFAOYSA-N
MW676.79 g/mol
LogP11.72
Rot. Bonds8

About 2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine

2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine (PubChem CID 59609425) has the molecular formula C44H35F3N4 and a molecular weight of 676.79 g/mol. Its IUPAC name is 2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine
PubChem CID59609425
Molecular FormulaC44H35F3N4
Molecular Weight676.79 g/mol
Exact Mass676.28
IUPAC Name2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine
SMILESCCc1cccnc1-c1cccc(-c2cc(-c3ccccc3C(F)(F)F)c(-c3cccc(-c4ncccc4CC)n3)cc2-c2ccccc2C)n1
InChIInChI=1S/C44H35F3N4/c1-4-29-15-12-24-48-42(29)40-22-10-20-38(50-40)35-27-34(32-18-8-9-19-37(32)44(45,46)47)36(26-33(35)31-17-7-6-14-28(31)3)39-21-11-23-41(51-39)43-30(5-2)16-13-25-49-43/h6-27H,4-5H2,1-3H3
InChIKeyBYCOREADZKHGSR-UHFFFAOYSA-N
XLogP11.72
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.79
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine?
The IUPAC name of 2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine (CID 59609425) is 2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine?
The canonical SMILES for 2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine is CCc1cccnc1-c1cccc(-c2cc(-c3ccccc3C(F)(F)F)c(-c3cccc(-c4ncccc4CC)n3)cc2-c2ccccc2C)n1.
What is the InChIKey of 2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine?
The InChIKey is BYCOREADZKHGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35F3N4/c1-4-29-15-12-24-48-42(29)40-22-10-20-38(50-40)35-27-34(32-18-8-9-19-37(32)44(45,46)47)36(26-33(35)31-17-7-6-14-28(31)3)39-21-11-23-41(51-39)43-30(5-2)16-13-25-49-43/h6-27H,4-5H2,1-3H3.
What are the key properties of 2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine?
2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine has a molecular weight of 676.79 g/mol, XLogP of 11.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-pyridinyl)-6-[4-[6-(3-ethyl-2-pyridinyl)-2-pyridinyl]-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 59609425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).