3-phenyl-N-(3-propan-2-ylphenyl)-5-pyridin-2-ylaniline

C26H24N2 — CID 170047096

IUPAC3-phenyl-N-(3-propan-2-ylphenyl)-5-pyridin-2-ylaniline
SMILESCC(C)c1cccc(Nc2cc(-c3ccccc3)cc(-c3ccccn3)c2)c1
InChIInChI=1S/C26H24N2/c1-19(2)21-11-8-12-24(16-21)28-25-17-22(20-9-4-3-5-10-20)15-23(18-25)26-13-6-7-14-27-26/h3-19,28H,1-2H3
InChIKeyOMJDAYVTJHKOGM-UHFFFAOYSA-N
MW364.49 g/mol
LogP7.28
Rot. Bonds5

About 3-phenyl-N-(3-propan-2-ylphenyl)-5-pyridin-2-ylaniline

3-phenyl-N-(3-propan-2-ylphenyl)-5-pyridin-2-ylaniline (PubChem CID 170047096) has the molecular formula C26H24N2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-phenyl-N-(3-propan-2-ylphenyl)-5-pyridin-2-ylaniline.

Molecular Properties

Compound Name3-phenyl-N-(3-propan-2-ylphenyl)-5-pyridin-2-ylaniline
PubChem CID170047096
Molecular FormulaC26H24N2
Molecular Weight364.49 g/mol
Exact Mass364.19
IUPAC Name3-phenyl-N-(3-propan-2-ylphenyl)-5-pyridin-2-ylaniline
SMILESCC(C)c1cccc(Nc2cc(-c3ccccc3)cc(-c3ccccn3)c2)c1
InChIInChI=1S/C26H24N2/c1-19(2)21-11-8-12-24(16-21)28-25-17-22(20-9-4-3-5-10-20)15-23(18-25)26-13-6-7-14-27-26/h3-19,28H,1-2H3
InChIKeyOMJDAYVTJHKOGM-UHFFFAOYSA-N
XLogP7.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3-propan-2-ylphenyl)phenyl]pyridine
CID 161030255
3-methyl-N-(3-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylaniline
CID 90070790
2-(3-phenyl-5-propan-2-ylphenyl)pyridine;3-(3-phenyl-5-propan-2-ylphenyl)pyridine;2-(3-propan-2-yl-5-pyridin-2-ylphenyl)pyridine;2-(3-propan-2-yl-5-pyridin-3-ylphenyl)pyridine;2-(3-propan-2-yl-5-pyridin-4-ylphenyl)pyridine;3-(3-propan-2-yl-5-pyridin-3-ylphenyl)pyridine;3-(3-propan-2-yl-5-pyridin-4-ylphenyl)pyridine
CID 158633423
2-phenyl-N-(3-pyridin-2-ylphenyl)aniline
CID 140908587
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 59510704
2,3-dimethylbutane;2-(3-propan-2-ylphenyl)pyridine;N-[(3R)-2,2,4-trimethylpentan-3-yl]acetamide
CID 159719574
2-methyl-4-phenyl-6-(3-phenyl-5-pyridin-2-ylphenyl)-1,3,5-triazine
CID 146568414
6-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)pyridin-2-amine
CID 161281145
3-cyclohexa-1,5-dien-1-yl-N-[3-(5-phenyl-1,3-thiazol-2-yl)phenyl]-5-pyridin-2-ylaniline
CID 90070868
2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine
CID 123620977
N-phenylaniline;2-pyridin-2-ylpyridine
CID 175252376

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(3-propan-2-ylphenyl)-5-pyridin-2-ylaniline?
The IUPAC name of 3-phenyl-N-(3-propan-2-ylphenyl)-5-pyridin-2-ylaniline (CID 170047096) is 3-phenyl-N-(3-propan-2-ylphenyl)-5-pyridin-2-ylaniline.
What is the SMILES notation for 3-phenyl-N-(3-propan-2-ylphenyl)-5-pyridin-2-ylaniline?
The canonical SMILES for 3-phenyl-N-(3-propan-2-ylphenyl)-5-pyridin-2-ylaniline is CC(C)c1cccc(Nc2cc(-c3ccccc3)cc(-c3ccccn3)c2)c1.
What is the InChIKey of 3-phenyl-N-(3-propan-2-ylphenyl)-5-pyridin-2-ylaniline?
The InChIKey is OMJDAYVTJHKOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2/c1-19(2)21-11-8-12-24(16-21)28-25-17-22(20-9-4-3-5-10-20)15-23(18-25)26-13-6-7-14-27-26/h3-19,28H,1-2H3.
What are the key properties of 3-phenyl-N-(3-propan-2-ylphenyl)-5-pyridin-2-ylaniline?
3-phenyl-N-(3-propan-2-ylphenyl)-5-pyridin-2-ylaniline has a molecular weight of 364.49 g/mol, XLogP of 7.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(3-propan-2-ylphenyl)-5-pyridin-2-ylaniline is sourced from PubChem (CID 170047096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).