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

C66H58N2 — CID 89068086

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

N-[4-[4-[(E)-2-[4-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(4-tert-butylphenyl)naphthalen-1-amine (PubChem CID 89068086) has the molecular formula C66H58N2 and a molecular weight of 879.20 g/mol. Its IUPAC name is N-[4-[4-[(E)-2-[4-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(4-tert-butylphenyl)naphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-[4-[(E)-2-[4-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(4-tert-butylphenyl)naphthalen-1-amine
• PubChem CID: 89068086
• Molecular Formula: C66H58N2
• Molecular Weight: 879.20 g/mol
• Exact Mass: 878.46
• IUPAC Name: N-[4-[4-[(E)-2-[4-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(4-tert-butylphenyl)naphthalen-1-amine
• SMILES: CC(C)(C)c1ccc(N(c2ccc(-c3ccc(/C=C/c4ccc(-c5ccc(N(c6ccc(C(C)(C)C)cc6)c6cccc7ccccc67)cc5)cc4)cc3)cc2)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C66H58N2/c1-65(2,3)55-35-43-59(44-36-55)67(63-19-11-15-53-13-7-9-17-61(53)63)57-39-31-51(32-40-57)49-27-23-47(24-28-49)21-22-48-25-29-50(30-26-48)52-33-41-58(42-34-52)68(60-45-37-56(38-46-60)66(4,5)6)64-20-12-16-54-14-8-10-18-62(54)64/h7-46H,1-6H3/b22-21+
• InChIKey: ZUBRLIJHLITHGH-QURGRASLSA-N
• XLogP: 19.03
• 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	879.20
LogP ≤ 5	19.03
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-[4-[(E)-2-[4-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(4-tert-butylphenyl)naphthalen-1-amine?

The IUPAC name of N-[4-[4-[(E)-2-[4-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(4-tert-butylphenyl)naphthalen-1-amine (CID 89068086) is N-[4-[4-[(E)-2-[4-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(4-tert-butylphenyl)naphthalen-1-amine.

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

The canonical SMILES for N-[4-[4-[(E)-2-[4-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(4-tert-butylphenyl)naphthalen-1-amine is CC(C)(C)c1ccc(N(c2ccc(-c3ccc(/C=C/c4ccc(-c5ccc(N(c6ccc(C(C)(C)C)cc6)c6cccc7ccccc67)cc5)cc4)cc3)cc2)c2cccc3ccccc23)cc1.

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

The InChIKey is ZUBRLIJHLITHGH-QURGRASLSA-N. The full InChI is InChI=1S/C66H58N2/c1-65(2,3)55-35-43-59(44-36-55)67(63-19-11-15-53-13-7-9-17-61(53)63)57-39-31-51(32-40-57)49-27-23-47(24-28-49)21-22-48-25-29-50(30-26-48)52-33-41-58(42-34-52)68(60-45-37-56(38-46-60)66(4,5)6)64-20-12-16-54-14-8-10-18-62(54)64/h7-46H,1-6H3/b22-21+.

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

N-[4-[4-[(E)-2-[4-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(4-tert-butylphenyl)naphthalen-1-amine has a molecular weight of 879.20 g/mol, XLogP of 19.03, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[(E)-2-[4-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(4-tert-butylphenyl)naphthalen-1-amine is sourced from PubChem (CID 89068086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).