2-[2-[2-[2-[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]quinoline

C39H25F3N2 — CID 58947725

IUPAC2-[2-[2-[2-[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]quinoline
SMILESFC(F)(F)c1cccc(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccccc2-c2ccc3ccccc3n2)n1
InChIInChI=1S/C39H25F3N2/c40-39(41,42)38-23-11-22-36(44-38)33-19-8-6-17-31(33)29-15-4-2-13-27(29)28-14-3-5-16-30(28)32-18-7-9-20-34(32)37-25-24-26-12-1-10-21-35(26)43-37/h1-25H
InChIKeyPWKHCOCMGCPVPX-UHFFFAOYSA-N
MW578.64 g/mol
LogP10.98
Rot. Bonds5

About 2-[2-[2-[2-[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]quinoline

2-[2-[2-[2-[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]quinoline (PubChem CID 58947725) has the molecular formula C39H25F3N2 and a molecular weight of 578.64 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]quinoline.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]quinoline
PubChem CID58947725
Molecular FormulaC39H25F3N2
Molecular Weight578.64 g/mol
Exact Mass578.20
IUPAC Name2-[2-[2-[2-[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]quinoline
SMILESFC(F)(F)c1cccc(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccccc2-c2ccc3ccccc3n2)n1
InChIInChI=1S/C39H25F3N2/c40-39(41,42)38-23-11-22-36(44-38)33-19-8-6-17-31(33)29-15-4-2-13-27(29)28-14-3-5-16-30(28)32-18-7-9-20-34(32)37-25-24-26-12-1-10-21-35(26)43-37/h1-25H
InChIKeyPWKHCOCMGCPVPX-UHFFFAOYSA-N
XLogP10.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.64
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-[2-[2-[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]quinoline?
The IUPAC name of 2-[2-[2-[2-[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]quinoline (CID 58947725) is 2-[2-[2-[2-[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]quinoline.
What is the SMILES notation for 2-[2-[2-[2-[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]quinoline?
The canonical SMILES for 2-[2-[2-[2-[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]quinoline is FC(F)(F)c1cccc(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccccc2-c2ccc3ccccc3n2)n1.
What is the InChIKey of 2-[2-[2-[2-[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]quinoline?
The InChIKey is PWKHCOCMGCPVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25F3N2/c40-39(41,42)38-23-11-22-36(44-38)33-19-8-6-17-31(33)29-15-4-2-13-27(29)28-14-3-5-16-30(28)32-18-7-9-20-34(32)37-25-24-26-12-1-10-21-35(26)43-37/h1-25H.
What are the key properties of 2-[2-[2-[2-[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]quinoline?
2-[2-[2-[2-[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]quinoline has a molecular weight of 578.64 g/mol, XLogP of 10.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[6-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]quinoline is sourced from PubChem (CID 58947725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).