N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine

C56H40N2 — CID 166859975

About N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine

N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine (PubChem CID 166859975) has the molecular formula C56H40N2 and a molecular weight of 740.95 g/mol. Its IUPAC name is N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
• PubChem CID: 166859975
• Molecular Formula: C56H40N2
• Molecular Weight: 740.95 g/mol
• Exact Mass: 740.32
• IUPAC Name: N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
• SMILES: c1ccc(-c2cccc(N(c3ccc(-c4ccc(N(c5cccc(-c6ccccc6)c5)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)c2)cc1
• InChI: InChI=1S/C56H40N2/c1-3-15-41(16-4-1)47-23-11-25-51(39-47)57(55-29-13-21-45-19-7-9-27-53(45)55)49-35-31-43(32-36-49)44-33-37-50(38-34-44)58(56-30-14-22-46-20-8-10-28-54(46)56)52-26-12-24-48(40-52)42-17-5-2-6-18-42/h1-40H
• InChIKey: FQPDEALEHDOBEB-UHFFFAOYSA-N
• XLogP: 15.93
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.95
LogP ≤ 5	15.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine (CID 166859975) is N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine.

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

The canonical SMILES for N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine is c1ccc(-c2cccc(N(c3ccc(-c4ccc(N(c5cccc(-c6ccccc6)c5)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)c2)cc1.

What is the InChIKey of N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine?

The InChIKey is FQPDEALEHDOBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2/c1-3-15-41(16-4-1)47-23-11-25-51(39-47)57(55-29-13-21-45-19-7-9-27-53(45)55)49-35-31-43(32-36-49)44-33-37-50(38-34-44)58(56-30-14-22-46-20-8-10-28-54(46)56)52-26-12-24-48(40-52)42-17-5-2-6-18-42/h1-40H.

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

N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine has a molecular weight of 740.95 g/mol, XLogP of 15.93, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 166859975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).