4-[(E)-2-[4-[(E)-2-[4-(4-butan-2-yl-N-(4-butan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-butan-2-ylphenyl)aniline

C62H68N2 — CID 59722331

About 4-[(E)-2-[4-[(E)-2-[4-(4-butan-2-yl-N-(4-butan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-butan-2-ylphenyl)aniline

4-[(E)-2-[4-[(E)-2-[4-(4-butan-2-yl-N-(4-butan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-butan-2-ylphenyl)aniline (PubChem CID 59722331) has the molecular formula C62H68N2 and a molecular weight of 841.24 g/mol. Its IUPAC name is 4-[(E)-2-[4-[(E)-2-[4-(4-butan-2-yl-N-(4-butan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-butan-2-ylphenyl)aniline.

Molecular Properties

• Compound Name: 4-[(E)-2-[4-[(E)-2-[4-(4-butan-2-yl-N-(4-butan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-butan-2-ylphenyl)aniline
• PubChem CID: 59722331
• Molecular Formula: C62H68N2
• Molecular Weight: 841.24 g/mol
• Exact Mass: 840.54
• IUPAC Name: 4-[(E)-2-[4-[(E)-2-[4-(4-butan-2-yl-N-(4-butan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-butan-2-ylphenyl)aniline
• SMILES: CCC(C)c1ccc(N(c2ccc(/C=C/c3ccc(/C=C/c4ccc(N(c5ccc(C(C)CC)cc5)c5ccc(C(C)CC)cc5)cc4)cc3)cc2)c2ccc(C(C)CC)cc2)cc1
• InChI: InChI=1S/C62H68N2/c1-9-45(5)53-25-37-59(38-26-53)63(60-39-27-54(28-40-60)46(6)10-2)57-33-21-51(22-34-57)19-17-49-13-15-50(16-14-49)18-20-52-23-35-58(36-24-52)64(61-41-29-55(30-42-61)47(7)11-3)62-43-31-56(32-44-62)48(8)12-4/h13-48H,9-12H2,1-8H3/b19-17+,20-18+
• InChIKey: CRKKYPUKUNULKG-XPWSMXQVSA-N
• XLogP: 19.02
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 18
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	841.24
LogP ≤ 5	19.02
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 4-[(E)-2-[4-[(E)-2-[4-(4-butan-2-yl-N-(4-butan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-butan-2-ylphenyl)aniline?

The IUPAC name of 4-[(E)-2-[4-[(E)-2-[4-(4-butan-2-yl-N-(4-butan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-butan-2-ylphenyl)aniline (CID 59722331) is 4-[(E)-2-[4-[(E)-2-[4-(4-butan-2-yl-N-(4-butan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-butan-2-ylphenyl)aniline.

What is the SMILES notation for 4-[(E)-2-[4-[(E)-2-[4-(4-butan-2-yl-N-(4-butan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-butan-2-ylphenyl)aniline?

The canonical SMILES for 4-[(E)-2-[4-[(E)-2-[4-(4-butan-2-yl-N-(4-butan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-butan-2-ylphenyl)aniline is CCC(C)c1ccc(N(c2ccc(/C=C/c3ccc(/C=C/c4ccc(N(c5ccc(C(C)CC)cc5)c5ccc(C(C)CC)cc5)cc4)cc3)cc2)c2ccc(C(C)CC)cc2)cc1.

What is the InChIKey of 4-[(E)-2-[4-[(E)-2-[4-(4-butan-2-yl-N-(4-butan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-butan-2-ylphenyl)aniline?

The InChIKey is CRKKYPUKUNULKG-XPWSMXQVSA-N. The full InChI is InChI=1S/C62H68N2/c1-9-45(5)53-25-37-59(38-26-53)63(60-39-27-54(28-40-60)46(6)10-2)57-33-21-51(22-34-57)19-17-49-13-15-50(16-14-49)18-20-52-23-35-58(36-24-52)64(61-41-29-55(30-42-61)47(7)11-3)62-43-31-56(32-44-62)48(8)12-4/h13-48H,9-12H2,1-8H3/b19-17+,20-18+.

What are the key properties of 4-[(E)-2-[4-[(E)-2-[4-(4-butan-2-yl-N-(4-butan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-butan-2-ylphenyl)aniline?

4-[(E)-2-[4-[(E)-2-[4-(4-butan-2-yl-N-(4-butan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-butan-2-ylphenyl)aniline has a molecular weight of 841.24 g/mol, XLogP of 19.02, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-2-[4-[(E)-2-[4-(4-butan-2-yl-N-(4-butan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-butan-2-ylphenyl)aniline is sourced from PubChem (CID 59722331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).