N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine

C66H46N2 — CID 59861292

About N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine

N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine (PubChem CID 59861292) has the molecular formula C66H46N2 and a molecular weight of 867.11 g/mol. Its IUPAC name is N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine.

Molecular Properties

• Compound Name: N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
• PubChem CID: 59861292
• Molecular Formula: C66H46N2
• Molecular Weight: 867.11 g/mol
• Exact Mass: 866.37
• IUPAC Name: N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc(N(c5ccc6ccccc6c5)c5cccc6ccccc56)cc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)c2)cc1
• InChI: InChI=1S/C66H46N2/c1-3-15-47(16-4-1)56-43-57(48-17-5-2-6-18-48)46-62(45-56)67(59-40-34-54(35-41-59)64-27-13-23-52-20-9-11-25-63(52)64)58-36-29-50(30-37-58)51-31-38-60(39-32-51)68(61-42-33-49-19-7-8-22-55(49)44-61)66-28-14-24-53-21-10-12-26-65(53)66/h1-46H
• InChIKey: RGTYSTIIYOEWKM-UHFFFAOYSA-N
• XLogP: 18.75
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.11
LogP ≤ 5	18.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine?

The IUPAC name of N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine (CID 59861292) is N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine.

What is the SMILES notation for N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine?

The canonical SMILES for N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc(N(c5ccc6ccccc6c5)c5cccc6ccccc56)cc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)c2)cc1.

What is the InChIKey of N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine?

The InChIKey is RGTYSTIIYOEWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2/c1-3-15-47(16-4-1)56-43-57(48-17-5-2-6-18-48)46-62(45-56)67(59-40-34-54(35-41-59)64-27-13-23-52-20-9-11-25-63(52)64)58-36-29-50(30-37-58)51-31-38-60(39-32-51)68(61-42-33-49-19-7-8-22-55(49)44-61)66-28-14-24-53-21-10-12-26-65(53)66/h1-46H.

What are the key properties of N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine?

N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine has a molecular weight of 867.11 g/mol, XLogP of 18.75, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine is sourced from PubChem (CID 59861292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).