N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine

C₅₈H₄₁N₃O — CID 59413521

About N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine

N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine (PubChem CID 59413521) has the molecular formula C₅₈H₄₁N₃O and a molecular weight of 795.99 g/mol. Its IUPAC name is N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine
• PubChem CID: 59413521
• Molecular Formula: C₅₈H₄₁N₃O
• Molecular Weight: 795.99 g/mol
• Exact Mass: 795.32
• IUPAC Name: N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine
• SMILES: COc1ccc(N(c2ccc(C3(c4cccc(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)c4)c4ccccc4-c4ccccc43)cc2)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C58H41N3O/c1-62-51-30-28-50(29-31-51)61(57-23-9-13-40-12-2-3-18-52(40)57)49-26-24-47(25-27-49)58(55-21-6-4-19-53(55)54-20-5-7-22-56(54)58)48-17-8-14-41(37-48)44-34-45(42-15-10-32-59-38-42)36-46(35-44)43-16-11-33-60-39-43/h2-39H,1H3
• InChIKey: BDKVWNADEMDEMQ-UHFFFAOYSA-N
• XLogP: 14.47
• TPSA: 38.25 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.99
LogP ≤ 5	14.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine?

The IUPAC name of N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine (CID 59413521) is N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine.

What is the SMILES notation for N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine?

The canonical SMILES for N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine is COc1ccc(N(c2ccc(C3(c4cccc(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)c4)c4ccccc4-c4ccccc43)cc2)c2cccc3ccccc23)cc1.

What is the InChIKey of N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine?

The InChIKey is BDKVWNADEMDEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N3O/c1-62-51-30-28-50(29-31-51)61(57-23-9-13-40-12-2-3-18-52(40)57)49-26-24-47(25-27-49)58(55-21-6-4-19-53(55)54-20-5-7-22-56(54)58)48-17-8-14-41(37-48)44-34-45(42-15-10-32-59-38-42)36-46(35-44)43-16-11-33-60-39-43/h2-39H,1H3.

What are the key properties of N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine?

N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine has a molecular weight of 795.99 g/mol, XLogP of 14.47, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[9-[3-(3,5-dipyridin-3-ylphenyl)phenyl]fluoren-9-yl]phenyl]-N-(4-methoxyphenyl)naphthalen-1-amine is sourced from PubChem (CID 59413521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 59413521 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.