N-(4-ethenylphenyl)-4-ethyl-N-[4-[3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]aniline

C51H40N2 — CID 59800861

About N-(4-ethenylphenyl)-4-ethyl-N-[4-[3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]aniline

N-(4-ethenylphenyl)-4-ethyl-N-[4-[3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]aniline (PubChem CID 59800861) has the molecular formula C51H40N2 and a molecular weight of 680.90 g/mol. Its IUPAC name is N-(4-ethenylphenyl)-4-ethyl-N-[4-[3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: N-(4-ethenylphenyl)-4-ethyl-N-[4-[3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]aniline
• PubChem CID: 59800861
• Molecular Formula: C51H40N2
• Molecular Weight: 680.90 g/mol
• Exact Mass: 680.32
• IUPAC Name: N-(4-ethenylphenyl)-4-ethyl-N-[4-[3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]aniline
• SMILES: C=Cc1ccc(N(c2ccc(CC)cc2)c2ccc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7ccccn7)c6)c5)c4)c3)cc2)cc1
• InChI: InChI=1S/C51H40N2/c1-3-37-20-26-48(27-21-37)53(49-28-22-38(4-2)23-29-49)50-30-24-39(25-31-50)40-11-7-12-41(33-40)42-13-8-14-43(34-42)44-15-9-16-45(35-44)46-17-10-18-47(36-46)51-19-5-6-32-52-51/h3,5-36H,1,4H2,2H3
• InChIKey: OFQULPGIRMCIBG-UHFFFAOYSA-N
• XLogP: 14.09
• TPSA: 16.13 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	680.90
LogP ≤ 5	14.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-ethenylphenyl)-4-ethyl-N-[4-[3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]aniline?

The IUPAC name of N-(4-ethenylphenyl)-4-ethyl-N-[4-[3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]aniline (CID 59800861) is N-(4-ethenylphenyl)-4-ethyl-N-[4-[3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]aniline.

What is the SMILES notation for N-(4-ethenylphenyl)-4-ethyl-N-[4-[3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]aniline?

The canonical SMILES for N-(4-ethenylphenyl)-4-ethyl-N-[4-[3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]aniline is C=Cc1ccc(N(c2ccc(CC)cc2)c2ccc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7ccccn7)c6)c5)c4)c3)cc2)cc1.

What is the InChIKey of N-(4-ethenylphenyl)-4-ethyl-N-[4-[3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]aniline?

The InChIKey is OFQULPGIRMCIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40N2/c1-3-37-20-26-48(27-21-37)53(49-28-22-38(4-2)23-29-49)50-30-24-39(25-31-50)40-11-7-12-41(33-40)42-13-8-14-43(34-42)44-15-9-16-45(35-44)46-17-10-18-47(36-46)51-19-5-6-32-52-51/h3,5-36H,1,4H2,2H3.

What are the key properties of N-(4-ethenylphenyl)-4-ethyl-N-[4-[3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]aniline?

N-(4-ethenylphenyl)-4-ethyl-N-[4-[3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]aniline has a molecular weight of 680.90 g/mol, XLogP of 14.09, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethenylphenyl)-4-ethyl-N-[4-[3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]aniline is sourced from PubChem (CID 59800861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).