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

C50H48N2 — CID 89067517

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

N-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 89067517) has the molecular formula C50H48N2 and a molecular weight of 676.95 g/mol. Its IUPAC name is N-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-1-amine
• PubChem CID: 89067517
• Molecular Formula: C50H48N2
• Molecular Weight: 676.95 g/mol
• Exact Mass: 676.38
• IUPAC Name: N-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-1-amine
• SMILES: CC(C)(C)c1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1
• InChI: InChI=1S/C50H48N2/c1-49(2,3)40-25-33-44(34-26-40)51(45-35-27-41(28-36-45)50(4,5)6)43-29-21-37(22-30-43)19-20-38-23-31-46(32-24-38)52(42-15-8-7-9-16-42)48-18-12-14-39-13-10-11-17-47(39)48/h7-36H,1-6H3/b20-19+
• InChIKey: QWQPZBYDAHIMFT-FMQUCBEESA-N
• XLogP: 14.54
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.95
LogP ≤ 5	14.54
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-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-1-amine?

The IUPAC name of N-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 89067517) is N-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-1-amine.

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

The canonical SMILES for N-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-1-amine is CC(C)(C)c1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2ccc(C(C)(C)C)cc2)cc1.

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

The InChIKey is QWQPZBYDAHIMFT-FMQUCBEESA-N. The full InChI is InChI=1S/C50H48N2/c1-49(2,3)40-25-33-44(34-26-40)51(45-35-27-41(28-36-45)50(4,5)6)43-29-21-37(22-30-43)19-20-38-23-31-46(32-24-38)52(42-15-8-7-9-16-42)48-18-12-14-39-13-10-11-17-47(39)48/h7-36H,1-6H3/b20-19+.

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

N-[4-[(E)-2-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 676.95 g/mol, XLogP of 14.54, 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-(4-tert-butylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 89067517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).