3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine

C42H26F6N6 — CID 58947635

IUPAC3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine
SMILESFC(F)(F)c1cc(-c2ccccc2-c2cnccc2-c2ccncc2-c2ccccc2-c2cc(C(F)(F)F)nn2-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C42H26F6N6/c43-41(44,45)39-23-37(53(51-39)27-11-3-1-4-12-27)33-17-9-7-15-29(33)35-25-49-21-19-31(35)32-20-22-50-26-36(32)30-16-8-10-18-34(30)38-24-40(42(46,47)48)52-54(38)28-13-5-2-6-14-28/h1-26H
InChIKeyUNORKNSQACODGB-UHFFFAOYSA-N
MW728.70 g/mol
LogP11.22
Rot. Bonds7

About 3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine

3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine (PubChem CID 58947635) has the molecular formula C42H26F6N6 and a molecular weight of 728.70 g/mol. Its IUPAC name is 3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine.

Molecular Properties

Compound Name3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine
PubChem CID58947635
Molecular FormulaC42H26F6N6
Molecular Weight728.70 g/mol
Exact Mass728.21
IUPAC Name3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine
SMILESFC(F)(F)c1cc(-c2ccccc2-c2cnccc2-c2ccncc2-c2ccccc2-c2cc(C(F)(F)F)nn2-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C42H26F6N6/c43-41(44,45)39-23-37(53(51-39)27-11-3-1-4-12-27)33-17-9-7-15-29(33)35-25-49-21-19-31(35)32-20-22-50-26-36(32)30-16-8-10-18-34(30)38-24-40(42(46,47)48)52-54(38)28-13-5-2-6-14-28/h1-26H
InChIKeyUNORKNSQACODGB-UHFFFAOYSA-N
XLogP11.22
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.70
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine?
The IUPAC name of 3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine (CID 58947635) is 3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine.
What is the SMILES notation for 3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine?
The canonical SMILES for 3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine is FC(F)(F)c1cc(-c2ccccc2-c2cnccc2-c2ccncc2-c2ccccc2-c2cc(C(F)(F)F)nn2-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine?
The InChIKey is UNORKNSQACODGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26F6N6/c43-41(44,45)39-23-37(53(51-39)27-11-3-1-4-12-27)33-17-9-7-15-29(33)35-25-49-21-19-31(35)32-20-22-50-26-36(32)30-16-8-10-18-34(30)38-24-40(42(46,47)48)52-54(38)28-13-5-2-6-14-28/h1-26H.
What are the key properties of 3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine?
3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine has a molecular weight of 728.70 g/mol, XLogP of 11.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-[3-[2-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-4-pyridinyl]pyridine is sourced from PubChem (CID 58947635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).