6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-phenylpyridin-2-amine

C28H17F4N3 — CID 23135815

IUPAC6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-phenylpyridin-2-amine
SMILESFc1ccc(-c2cccc(N(c3ccccc3)c3cccc(-c4ccc(F)cc4F)n3)n2)c(F)c1
InChIInChI=1S/C28H17F4N3/c29-18-12-14-21(23(31)16-18)25-8-4-10-27(33-25)35(20-6-2-1-3-7-20)28-11-5-9-26(34-28)22-15-13-19(30)17-24(22)32/h1-17H
InChIKeyLMMPJBLVGLAYOC-UHFFFAOYSA-N
MW471.46 g/mol
LogP7.84
Rot. Bonds5

About 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-phenylpyridin-2-amine

6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-phenylpyridin-2-amine (PubChem CID 23135815) has the molecular formula C28H17F4N3 and a molecular weight of 471.46 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-phenylpyridin-2-amine.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-phenylpyridin-2-amine
PubChem CID23135815
Molecular FormulaC28H17F4N3
Molecular Weight471.46 g/mol
Exact Mass471.14
IUPAC Name6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-phenylpyridin-2-amine
SMILESFc1ccc(-c2cccc(N(c3ccccc3)c3cccc(-c4ccc(F)cc4F)n3)n2)c(F)c1
InChIInChI=1S/C28H17F4N3/c29-18-12-14-21(23(31)16-18)25-8-4-10-27(33-25)35(20-6-2-1-3-7-20)28-11-5-9-26(34-28)22-15-13-19(30)17-24(22)32/h1-17H
InChIKeyLMMPJBLVGLAYOC-UHFFFAOYSA-N
XLogP7.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.46
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[4-(4-Fluorophenyl)butyl]-4-(6-phenyl-2-pyridinyl)piperazine;hydrochloride
CID 162645251
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CID 772617
4,6-Diphenyl-2-(piperidin-1-yl)pyridine-3-carbonitrile
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CID 1373123

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-phenylpyridin-2-amine?
The IUPAC name of 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-phenylpyridin-2-amine (CID 23135815) is 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-phenylpyridin-2-amine.
What is the SMILES notation for 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-phenylpyridin-2-amine?
The canonical SMILES for 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-phenylpyridin-2-amine is Fc1ccc(-c2cccc(N(c3ccccc3)c3cccc(-c4ccc(F)cc4F)n3)n2)c(F)c1.
What is the InChIKey of 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-phenylpyridin-2-amine?
The InChIKey is LMMPJBLVGLAYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17F4N3/c29-18-12-14-21(23(31)16-18)25-8-4-10-27(33-25)35(20-6-2-1-3-7-20)28-11-5-9-26(34-28)22-15-13-19(30)17-24(22)32/h1-17H.
What are the key properties of 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-phenylpyridin-2-amine?
6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-phenylpyridin-2-amine has a molecular weight of 471.46 g/mol, XLogP of 7.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-phenylpyridin-2-amine is sourced from PubChem (CID 23135815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).