N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-phenylnaphthalen-1-amine

C58H42N2 — CID 176548656

About N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 176548656) has the molecular formula C58H42N2 and a molecular weight of 766.99 g/mol. Its IUPAC name is N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-phenylnaphthalen-1-amine
• PubChem CID: 176548656
• Molecular Formula: C58H42N2
• Molecular Weight: 766.99 g/mol
• Exact Mass: 766.33
• IUPAC Name: N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-phenylnaphthalen-1-amine
• SMILES: c1ccc(C(=C(c2ccccc2)c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)cc1
• InChI: InChI=1S/C58H42N2/c1-5-21-45(22-6-1)57(47-35-39-51(40-36-47)59(49-27-9-3-10-28-49)55-33-17-25-43-19-13-15-31-53(43)55)58(46-23-7-2-8-24-46)48-37-41-52(42-38-48)60(50-29-11-4-12-30-50)56-34-18-26-44-20-14-16-32-54(44)56/h1-42H
• InChIKey: OSWZPBYAJYKSSP-UHFFFAOYSA-N
• XLogP: 15.94
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.99
LogP ≤ 5	15.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 176548656) is N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-phenylnaphthalen-1-amine.

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

The canonical SMILES for N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-phenylnaphthalen-1-amine is c1ccc(C(=C(c2ccccc2)c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2)cc1.

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

The InChIKey is OSWZPBYAJYKSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N2/c1-5-21-45(22-6-1)57(47-35-39-51(40-36-47)59(49-27-9-3-10-28-49)55-33-17-25-43-19-13-15-31-53(43)55)58(46-23-7-2-8-24-46)48-37-41-52(42-38-48)60(50-29-11-4-12-30-50)56-34-18-26-44-20-14-16-32-54(44)56/h1-42H.

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

N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 766.99 g/mol, XLogP of 15.94, 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]-1,2-diphenylethenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 176548656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).