N-[(6-naphthalen-1-yl-2-pyridinyl)-(5-propan-2-ylcyclopenta-1,4-dien-1-yl)methyl]-2-propan-2-ylaniline

C33H34N2 — CID 153345248

About N-[(6-naphthalen-1-yl-2-pyridinyl)-(5-propan-2-ylcyclopenta-1,4-dien-1-yl)methyl]-2-propan-2-ylaniline

N-[(6-naphthalen-1-yl-2-pyridinyl)-(5-propan-2-ylcyclopenta-1,4-dien-1-yl)methyl]-2-propan-2-ylaniline (PubChem CID 153345248) has the molecular formula C33H34N2 and a molecular weight of 458.65 g/mol. Its IUPAC name is N-[(6-naphthalen-1-yl-2-pyridinyl)-(5-propan-2-ylcyclopenta-1,4-dien-1-yl)methyl]-2-propan-2-ylaniline.

Molecular Properties

• Compound Name: N-[(6-naphthalen-1-yl-2-pyridinyl)-(5-propan-2-ylcyclopenta-1,4-dien-1-yl)methyl]-2-propan-2-ylaniline
• PubChem CID: 153345248
• Molecular Formula: C33H34N2
• Molecular Weight: 458.65 g/mol
• Exact Mass: 458.27
• IUPAC Name: N-[(6-naphthalen-1-yl-2-pyridinyl)-(5-propan-2-ylcyclopenta-1,4-dien-1-yl)methyl]-2-propan-2-ylaniline
• SMILES: CC(C)C1=CCC=C1C(Nc1ccccc1C(C)C)c1cccc(-c2cccc3ccccc23)n1
• InChI: InChI=1S/C33H34N2/c1-22(2)25-16-10-18-29(25)33(35-30-19-8-7-14-26(30)23(3)4)32-21-11-20-31(34-32)28-17-9-13-24-12-5-6-15-27(24)28/h5-9,11-23,33,35H,10H2,1-4H3
• InChIKey: DXMGWQDPAUSIJL-UHFFFAOYSA-N
• XLogP: 9.09
• TPSA: 24.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.65
LogP ≤ 5	9.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[(6-naphthalen-1-yl-2-pyridinyl)-(5-propan-2-ylcyclopenta-1,4-dien-1-yl)methyl]-2-propan-2-ylaniline?

The IUPAC name of N-[(6-naphthalen-1-yl-2-pyridinyl)-(5-propan-2-ylcyclopenta-1,4-dien-1-yl)methyl]-2-propan-2-ylaniline (CID 153345248) is N-[(6-naphthalen-1-yl-2-pyridinyl)-(5-propan-2-ylcyclopenta-1,4-dien-1-yl)methyl]-2-propan-2-ylaniline.

What is the SMILES notation for N-[(6-naphthalen-1-yl-2-pyridinyl)-(5-propan-2-ylcyclopenta-1,4-dien-1-yl)methyl]-2-propan-2-ylaniline?

The canonical SMILES for N-[(6-naphthalen-1-yl-2-pyridinyl)-(5-propan-2-ylcyclopenta-1,4-dien-1-yl)methyl]-2-propan-2-ylaniline is CC(C)C1=CCC=C1C(Nc1ccccc1C(C)C)c1cccc(-c2cccc3ccccc23)n1.

What is the InChIKey of N-[(6-naphthalen-1-yl-2-pyridinyl)-(5-propan-2-ylcyclopenta-1,4-dien-1-yl)methyl]-2-propan-2-ylaniline?

The InChIKey is DXMGWQDPAUSIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2/c1-22(2)25-16-10-18-29(25)33(35-30-19-8-7-14-26(30)23(3)4)32-21-11-20-31(34-32)28-17-9-13-24-12-5-6-15-27(24)28/h5-9,11-23,33,35H,10H2,1-4H3.

What are the key properties of N-[(6-naphthalen-1-yl-2-pyridinyl)-(5-propan-2-ylcyclopenta-1,4-dien-1-yl)methyl]-2-propan-2-ylaniline?

N-[(6-naphthalen-1-yl-2-pyridinyl)-(5-propan-2-ylcyclopenta-1,4-dien-1-yl)methyl]-2-propan-2-ylaniline has a molecular weight of 458.65 g/mol, XLogP of 9.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-naphthalen-1-yl-2-pyridinyl)-(5-propan-2-ylcyclopenta-1,4-dien-1-yl)methyl]-2-propan-2-ylaniline is sourced from PubChem (CID 153345248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).