N-[(6-phenyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline

C33H38N2 — CID 59760636

About N-[(6-phenyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline

N-[(6-phenyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline (PubChem CID 59760636) has the molecular formula C33H38N2 and a molecular weight of 462.68 g/mol. Its IUPAC name is N-[(6-phenyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

• Compound Name: N-[(6-phenyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline
• PubChem CID: 59760636
• Molecular Formula: C33H38N2
• Molecular Weight: 462.68 g/mol
• Exact Mass: 462.30
• IUPAC Name: N-[(6-phenyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline
• SMILES: CC(C)c1ccccc1C(Nc1c(C(C)C)cccc1C(C)C)c1cccc(-c2ccccc2)n1
• InChI: InChI=1S/C33H38N2/c1-22(2)26-16-10-11-17-29(26)33(31-21-13-20-30(34-31)25-14-8-7-9-15-25)35-32-27(23(3)4)18-12-19-28(32)24(5)6/h7-24,33,35H,1-6H3
• InChIKey: SKDQGQDCDIYPJI-UHFFFAOYSA-N
• XLogP: 9.32
• TPSA: 24.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.68
LogP ≤ 5	9.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[(6-phenyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline?

The IUPAC name of N-[(6-phenyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline (CID 59760636) is N-[(6-phenyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline.

What is the SMILES notation for N-[(6-phenyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline?

The canonical SMILES for N-[(6-phenyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline is CC(C)c1ccccc1C(Nc1c(C(C)C)cccc1C(C)C)c1cccc(-c2ccccc2)n1.

What is the InChIKey of N-[(6-phenyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline?

The InChIKey is SKDQGQDCDIYPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2/c1-22(2)26-16-10-11-17-29(26)33(31-21-13-20-30(34-31)25-14-8-7-9-15-25)35-32-27(23(3)4)18-12-19-28(32)24(5)6/h7-24,33,35H,1-6H3.

What are the key properties of N-[(6-phenyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline?

N-[(6-phenyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline has a molecular weight of 462.68 g/mol, XLogP of 9.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-phenyl-2-pyridinyl)-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 59760636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).