N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]-3-(4-naphthalen-1-ylphenyl)naphthalen-1-amine

C68H46N2 — CID 121286486

About N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]-3-(4-naphthalen-1-ylphenyl)naphthalen-1-amine

N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]-3-(4-naphthalen-1-ylphenyl)naphthalen-1-amine (PubChem CID 121286486) has the molecular formula C68H46N2 and a molecular weight of 891.13 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]-3-(4-naphthalen-1-ylphenyl)naphthalen-1-amine.

Molecular Properties

• Compound Name: N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]-3-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
• PubChem CID: 121286486
• Molecular Formula: C68H46N2
• Molecular Weight: 891.13 g/mol
• Exact Mass: 890.37
• IUPAC Name: N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]-3-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
• SMILES: c1ccc2cc(N(c3ccc(-c4ccc(N(c5cccc6ccccc56)c5cc(-c6ccc(-c7cccc8ccccc78)cc6)cc6ccccc56)cc4)cc3)c3cccc4ccccc34)ccc2c1
• InChI: InChI=1S/C68H46N2/c1-2-18-55-45-60(43-38-47(55)14-1)69(66-28-12-21-52-16-4-8-24-63(52)66)58-39-34-48(35-40-58)49-36-41-59(42-37-49)70(67-29-13-22-53-17-5-9-25-64(53)67)68-46-57(44-56-19-6-10-26-65(56)68)50-30-32-54(33-31-50)62-27-11-20-51-15-3-7-23-61(51)62/h1-46H
• InChIKey: FTGDGJRPOBLYEM-UHFFFAOYSA-N
• XLogP: 19.39
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	891.13
LogP ≤ 5	19.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]-3-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?

The IUPAC name of N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]-3-(4-naphthalen-1-ylphenyl)naphthalen-1-amine (CID 121286486) is N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]-3-(4-naphthalen-1-ylphenyl)naphthalen-1-amine.

What is the SMILES notation for N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]-3-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?

The canonical SMILES for N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]-3-(4-naphthalen-1-ylphenyl)naphthalen-1-amine is c1ccc2cc(N(c3ccc(-c4ccc(N(c5cccc6ccccc56)c5cc(-c6ccc(-c7cccc8ccccc78)cc6)cc6ccccc56)cc4)cc3)c3cccc4ccccc34)ccc2c1.

What is the InChIKey of N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]-3-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?

The InChIKey is FTGDGJRPOBLYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N2/c1-2-18-55-45-60(43-38-47(55)14-1)69(66-28-12-21-52-16-4-8-24-63(52)66)58-39-34-48(35-40-58)49-36-41-59(42-37-49)70(67-29-13-22-53-17-5-9-25-64(53)67)68-46-57(44-56-19-6-10-26-65(56)68)50-30-32-54(33-31-50)62-27-11-20-51-15-3-7-23-61(51)62/h1-46H.

What are the key properties of N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]-3-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?

N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]-3-(4-naphthalen-1-ylphenyl)naphthalen-1-amine has a molecular weight of 891.13 g/mol, XLogP of 19.39, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-1-yl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]-3-(4-naphthalen-1-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 121286486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).