N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)naphthalen-1-amine

C62H44N2 — CID 121387026

About N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)naphthalen-1-amine

N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 121387026) has the molecular formula C62H44N2 and a molecular weight of 817.05 g/mol. Its IUPAC name is N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
• PubChem CID: 121387026
• Molecular Formula: C62H44N2
• Molecular Weight: 817.05 g/mol
• Exact Mass: 816.35
• IUPAC Name: N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)c3c(-c4ccccc4)ccc4ccccc34)cc2)cc1
• InChI: InChI=1S/C62H44N2/c1-4-17-45(18-5-1)46-31-38-54(39-32-46)64(62-59-29-13-11-22-49(59)37-44-60(62)48-19-6-2-7-20-48)55-42-35-51(36-43-55)57-27-15-14-26-56(57)50-33-40-53(41-34-50)63(52-24-8-3-9-25-52)61-30-16-23-47-21-10-12-28-58(47)61/h1-44H
• InChIKey: OCOTXSBCEDKEKT-UHFFFAOYSA-N
• XLogP: 17.60
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	817.05
LogP ≤ 5	17.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?

The IUPAC name of N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)naphthalen-1-amine (CID 121387026) is N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)naphthalen-1-amine.

What is the SMILES notation for N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?

The canonical SMILES for N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4)cc3)c3c(-c4ccccc4)ccc4ccccc34)cc2)cc1.

What is the InChIKey of N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?

The InChIKey is OCOTXSBCEDKEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2/c1-4-17-45(18-5-1)46-31-38-54(39-32-46)64(62-59-29-13-11-22-49(59)37-44-60(62)48-19-6-2-7-20-48)55-42-35-51(36-43-55)57-27-15-14-26-56(57)50-33-40-53(41-34-50)63(52-24-8-3-9-25-52)61-30-16-23-47-21-10-12-28-58(47)61/h1-44H.

What are the key properties of N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)naphthalen-1-amine?

N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)naphthalen-1-amine has a molecular weight of 817.05 g/mol, XLogP of 17.60, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-2-phenyl-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 121387026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).