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

C32H37N3 — CID 102236466

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

2,6-di(propan-2-yl)-N-[(R)-(2-propan-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)methyl]aniline (PubChem CID 102236466) has the molecular formula C32H37N3 and a molecular weight of 463.67 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-N-[(R)-(2-propan-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)methyl]aniline.

Molecular Properties

• Compound Name: 2,6-di(propan-2-yl)-N-[(R)-(2-propan-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)methyl]aniline
• PubChem CID: 102236466
• Molecular Formula: C32H37N3
• Molecular Weight: 463.67 g/mol
• Exact Mass: 463.30
• IUPAC Name: 2,6-di(propan-2-yl)-N-[(R)-(2-propan-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)methyl]aniline
• SMILES: CC(C)c1ccccc1[C@@H](Nc1c(C(C)C)cccc1C(C)C)c1cccc(-c2ccccn2)n1
• InChI: InChI=1S/C32H37N3/c1-21(2)24-13-7-8-14-27(24)32(30-19-12-18-29(34-30)28-17-9-10-20-33-28)35-31-25(22(3)4)15-11-16-26(31)23(5)6/h7-23,32,35H,1-6H3/t32-/m1/s1
• InChIKey: XAZXISOTVQPKHK-JGCGQSQUSA-N
• XLogP: 8.72
• TPSA: 37.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.67
LogP ≤ 5	8.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2,6-di(propan-2-yl)-N-[(R)-(2-propan-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)methyl]aniline (CID 102236466) is 2,6-di(propan-2-yl)-N-[(R)-(2-propan-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)methyl]aniline.

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

The canonical SMILES for 2,6-di(propan-2-yl)-N-[(R)-(2-propan-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)methyl]aniline is CC(C)c1ccccc1[C@@H](Nc1c(C(C)C)cccc1C(C)C)c1cccc(-c2ccccn2)n1.

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

The InChIKey is XAZXISOTVQPKHK-JGCGQSQUSA-N. The full InChI is InChI=1S/C32H37N3/c1-21(2)24-13-7-8-14-27(24)32(30-19-12-18-29(34-30)28-17-9-10-20-33-28)35-31-25(22(3)4)15-11-16-26(31)23(5)6/h7-23,32,35H,1-6H3/t32-/m1/s1.

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

2,6-di(propan-2-yl)-N-[(R)-(2-propan-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)methyl]aniline has a molecular weight of 463.67 g/mol, XLogP of 8.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-di(propan-2-yl)-N-[(R)-(2-propan-2-ylphenyl)-(6-pyridin-2-yl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 102236466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).