2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine

C39H25F3N4 — CID 59609364

IUPAC2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccnc1-c1cccc(-c2cc(-c3ccccc3)c(-c3cccc(-c4ccccn4)n3)cc2-c2ccccc2)n1
InChIInChI=1S/C39H25F3N4/c40-39(41,42)32-16-11-23-44-38(32)37-21-10-19-34(46-37)31-25-28(26-12-3-1-4-13-26)30(24-29(31)27-14-5-2-6-15-27)33-18-9-20-36(45-33)35-17-7-8-22-43-35/h1-25H
InChIKeyKMVPSDNXWYPKLM-UHFFFAOYSA-N
MW606.65 g/mol
LogP10.29
Rot. Bonds6

About 2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine

2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine (PubChem CID 59609364) has the molecular formula C39H25F3N4 and a molecular weight of 606.65 g/mol. Its IUPAC name is 2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine
PubChem CID59609364
Molecular FormulaC39H25F3N4
Molecular Weight606.65 g/mol
Exact Mass606.20
IUPAC Name2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccnc1-c1cccc(-c2cc(-c3ccccc3)c(-c3cccc(-c4ccccn4)n3)cc2-c2ccccc2)n1
InChIInChI=1S/C39H25F3N4/c40-39(41,42)32-16-11-23-44-38(32)37-21-10-19-34(46-37)31-25-28(26-12-3-1-4-13-26)30(24-29(31)27-14-5-2-6-15-27)33-18-9-20-36(45-33)35-17-7-8-22-43-35/h1-25H
InChIKeyKMVPSDNXWYPKLM-UHFFFAOYSA-N
XLogP10.29
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.65
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine (CID 59609364) is 2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine is FC(F)(F)c1cccnc1-c1cccc(-c2cc(-c3ccccc3)c(-c3cccc(-c4ccccn4)n3)cc2-c2ccccc2)n1.
What is the InChIKey of 2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine?
The InChIKey is KMVPSDNXWYPKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25F3N4/c40-39(41,42)32-16-11-23-44-38(32)37-21-10-19-34(46-37)31-25-28(26-12-3-1-4-13-26)30(24-29(31)27-14-5-2-6-15-27)33-18-9-20-36(45-33)35-17-7-8-22-43-35/h1-25H.
What are the key properties of 2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine?
2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine has a molecular weight of 606.65 g/mol, XLogP of 10.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2,5-diphenyl-4-(6-pyridin-2-yl-2-pyridinyl)phenyl]-2-pyridinyl]-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 59609364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).