N-[4-[(E)-2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine

C54H44N2 — CID 89067707

About N-[4-[(E)-2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine

N-[4-[(E)-2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine (PubChem CID 89067707) has the molecular formula C54H44N2 and a molecular weight of 720.96 g/mol. Its IUPAC name is N-[4-[(E)-2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine.

Molecular Properties

• Compound Name: N-[4-[(E)-2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
• PubChem CID: 89067707
• Molecular Formula: C54H44N2
• Molecular Weight: 720.96 g/mol
• Exact Mass: 720.35
• IUPAC Name: N-[4-[(E)-2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
• SMILES: CC(C)(C)c1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)cc2)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C54H44N2/c1-54(2,3)46-27-35-49(36-28-46)56(53-18-10-16-43-13-8-9-17-52(43)53)48-31-23-40(24-32-48)20-19-39-21-29-47(30-22-39)55(50-33-25-41-11-4-6-14-44(41)37-50)51-34-26-42-12-5-7-15-45(42)38-51/h4-38H,1-3H3/b20-19+
• InChIKey: GVGWTLVJSTVBIY-FMQUCBEESA-N
• XLogP: 15.55
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.96
LogP ≤ 5	15.55
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-[(E)-2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?

The IUPAC name of N-[4-[(E)-2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine (CID 89067707) is N-[4-[(E)-2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine.

What is the SMILES notation for N-[4-[(E)-2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?

The canonical SMILES for N-[4-[(E)-2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine is CC(C)(C)c1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)cc2)c2cccc3ccccc23)cc1.

What is the InChIKey of N-[4-[(E)-2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?

The InChIKey is GVGWTLVJSTVBIY-FMQUCBEESA-N. The full InChI is InChI=1S/C54H44N2/c1-54(2,3)46-27-35-49(36-28-46)56(53-18-10-16-43-13-8-9-17-52(43)53)48-31-23-40(24-32-48)20-19-39-21-29-47(30-22-39)55(50-33-25-41-11-4-6-14-44(41)37-50)51-34-26-42-12-5-7-15-45(42)38-51/h4-38H,1-3H3/b20-19+.

What are the key properties of N-[4-[(E)-2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?

N-[4-[(E)-2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine has a molecular weight of 720.96 g/mol, XLogP of 15.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(E)-2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine is sourced from PubChem (CID 89067707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).