2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine

C40H27F3N4 — CID 59609356

IUPAC2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine
SMILESCc1ccccc1-c1cc(-c2cccc(-c3ccccn3)n2)c(-c2ccccc2C(F)(F)F)cc1-c1cccc(-c2ccccn2)n1
InChIInChI=1S/C40H27F3N4/c1-26-12-2-3-13-27(26)29-24-32(35-19-11-21-39(47-35)37-17-7-9-23-45-37)30(28-14-4-5-15-33(28)40(41,42)43)25-31(29)34-18-10-20-38(46-34)36-16-6-8-22-44-36/h2-25H,1H3
InChIKeyVIKMHUJZGKHJJL-UHFFFAOYSA-N
MW620.68 g/mol
LogP10.60
Rot. Bonds6

About 2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine

2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine (PubChem CID 59609356) has the molecular formula C40H27F3N4 and a molecular weight of 620.68 g/mol. Its IUPAC name is 2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine
PubChem CID59609356
Molecular FormulaC40H27F3N4
Molecular Weight620.68 g/mol
Exact Mass620.22
IUPAC Name2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine
SMILESCc1ccccc1-c1cc(-c2cccc(-c3ccccn3)n2)c(-c2ccccc2C(F)(F)F)cc1-c1cccc(-c2ccccn2)n1
InChIInChI=1S/C40H27F3N4/c1-26-12-2-3-13-27(26)29-24-32(35-19-11-21-39(47-35)37-17-7-9-23-45-37)30(28-14-4-5-15-33(28)40(41,42)43)25-31(29)34-18-10-20-38(46-34)36-16-6-8-22-44-36/h2-25H,1H3
InChIKeyVIKMHUJZGKHJJL-UHFFFAOYSA-N
XLogP10.60
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.68
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine?
The IUPAC name of 2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine (CID 59609356) is 2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine?
The canonical SMILES for 2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine is Cc1ccccc1-c1cc(-c2cccc(-c3ccccn3)n2)c(-c2ccccc2C(F)(F)F)cc1-c1cccc(-c2ccccn2)n1.
What is the InChIKey of 2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine?
The InChIKey is VIKMHUJZGKHJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27F3N4/c1-26-12-2-3-13-27(26)29-24-32(35-19-11-21-39(47-35)37-17-7-9-23-45-37)30(28-14-4-5-15-33(28)40(41,42)43)25-31(29)34-18-10-20-38(46-34)36-16-6-8-22-44-36/h2-25H,1H3.
What are the key properties of 2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine?
2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine has a molecular weight of 620.68 g/mol, XLogP of 10.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenyl)-4-(6-pyridin-2-yl-2-pyridinyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-6-pyridin-2-ylpyridine is sourced from PubChem (CID 59609356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).