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

C46H22F18N2 — CID 89005561

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine
SMILESFC(F)(F)c1cc(-c2cccc(-c3cc(-c4ccccc4C(F)(F)F)c(-c4cccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)n4)cc3-c3ccccc3C(F)(F)F)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C46H22F18N2/c47-41(48,49)25-15-23(16-26(19-25)42(50,51)52)37-11-5-13-39(65-37)33-22-32(30-8-2-4-10-36(30)46(62,63)64)34(21-31(33)29-7-1-3-9-35(29)45(59,60)61)40-14-6-12-38(66-40)24-17-27(43(53,54)55)20-28(18-24)44(56,57)58/h1-22H
InChIKeyLYDWMVNFUVKJOJ-UHFFFAOYSA-N
MW944.66 g/mol
LogP16.59
Rot. Bonds6

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

2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine (PubChem CID 89005561) has the molecular formula C46H22F18N2 and a molecular weight of 944.66 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine
PubChem CID89005561
Molecular FormulaC46H22F18N2
Molecular Weight944.66 g/mol
Exact Mass944.15
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine
SMILESFC(F)(F)c1cc(-c2cccc(-c3cc(-c4ccccc4C(F)(F)F)c(-c4cccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)n4)cc3-c3ccccc3C(F)(F)F)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C46H22F18N2/c47-41(48,49)25-15-23(16-26(19-25)42(50,51)52)37-11-5-13-39(65-37)33-22-32(30-8-2-4-10-36(30)46(62,63)64)34(21-31(33)29-7-1-3-9-35(29)45(59,60)61)40-14-6-12-38(66-40)24-17-27(43(53,54)55)20-28(18-24)44(56,57)58/h1-22H
InChIKeyLYDWMVNFUVKJOJ-UHFFFAOYSA-N
XLogP16.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500944.66
LogP ≤ 516.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine (CID 89005561) is 2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine is FC(F)(F)c1cc(-c2cccc(-c3cc(-c4ccccc4C(F)(F)F)c(-c4cccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)n4)cc3-c3ccccc3C(F)(F)F)n2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine?
The InChIKey is LYDWMVNFUVKJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H22F18N2/c47-41(48,49)25-15-23(16-26(19-25)42(50,51)52)37-11-5-13-39(65-37)33-22-32(30-8-2-4-10-36(30)46(62,63)64)34(21-31(33)29-7-1-3-9-35(29)45(59,60)61)40-14-6-12-38(66-40)24-17-27(43(53,54)55)20-28(18-24)44(56,57)58/h1-22H.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine?
2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine has a molecular weight of 944.66 g/mol, XLogP of 16.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 89005561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).