2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine

C37H23F6N — CID 102130644

IUPAC2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2c(-c3ccccc3)nc(-c3ccccc3)c(-c3ccccc3)c2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C37H23F6N/c38-36(39,40)29-20-16-25(17-21-29)31-32(24-10-4-1-5-11-24)34(27-12-6-2-7-13-27)44-35(28-14-8-3-9-15-28)33(31)26-18-22-30(23-19-26)37(41,42)43/h1-23H
InChIKeyBHGUXANQOVSJCX-UHFFFAOYSA-N
MW595.59 g/mol
LogP11.45
Rot. Bonds5

About 2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine

2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 102130644) has the molecular formula C37H23F6N and a molecular weight of 595.59 g/mol. Its IUPAC name is 2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine
PubChem CID102130644
Molecular FormulaC37H23F6N
Molecular Weight595.59 g/mol
Exact Mass595.17
IUPAC Name2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2c(-c3ccccc3)nc(-c3ccccc3)c(-c3ccccc3)c2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C37H23F6N/c38-36(39,40)29-20-16-25(17-21-29)31-32(24-10-4-1-5-11-24)34(27-12-6-2-7-13-27)44-35(28-14-8-3-9-15-28)33(31)26-18-22-30(23-19-26)37(41,42)43/h1-23H
InChIKeyBHGUXANQOVSJCX-UHFFFAOYSA-N
XLogP11.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.59
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine (CID 102130644) is 2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1ccc(-c2c(-c3ccccc3)nc(-c3ccccc3)c(-c3ccccc3)c2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is BHGUXANQOVSJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23F6N/c38-36(39,40)29-20-16-25(17-21-29)31-32(24-10-4-1-5-11-24)34(27-12-6-2-7-13-27)44-35(28-14-8-3-9-15-28)33(31)26-18-22-30(23-19-26)37(41,42)43/h1-23H.
What are the key properties of 2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine?
2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 595.59 g/mol, XLogP of 11.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 102130644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).