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

C58H60N2 — CID 22900193

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

N,N-bis(4-propan-2-ylphenyl)-4-[(E)-2-[4-[(E)-2-[4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline (PubChem CID 22900193) has the molecular formula C58H60N2 and a molecular weight of 785.13 g/mol. Its IUPAC name is N,N-bis(4-propan-2-ylphenyl)-4-[(E)-2-[4-[(E)-2-[4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline.

Molecular Properties

• Compound Name: N,N-bis(4-propan-2-ylphenyl)-4-[(E)-2-[4-[(E)-2-[4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
• PubChem CID: 22900193
• Molecular Formula: C58H60N2
• Molecular Weight: 785.13 g/mol
• Exact Mass: 784.48
• IUPAC Name: N,N-bis(4-propan-2-ylphenyl)-4-[(E)-2-[4-[(E)-2-[4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
• SMILES: CC(C)c1ccc(N(c2ccc(/C=C/c3ccc(/C=C/c4ccc(N(c5ccc(C(C)C)cc5)c5ccc(C(C)C)cc5)cc4)cc3)cc2)c2ccc(C(C)C)cc2)cc1
• InChI: InChI=1S/C58H60N2/c1-41(2)49-21-33-55(34-22-49)59(56-35-23-50(24-36-56)42(3)4)53-29-17-47(18-30-53)15-13-45-9-11-46(12-10-45)14-16-48-19-31-54(32-20-48)60(57-37-25-51(26-38-57)43(5)6)58-39-27-52(28-40-58)44(7)8/h9-44H,1-8H3/b15-13+,16-14+
• InChIKey: JBAMEKLYAGBPHL-WXUKJITCSA-N
• XLogP: 17.46
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.13
LogP ≤ 5	17.46
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,N-bis(4-propan-2-ylphenyl)-4-[(E)-2-[4-[(E)-2-[4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline?

The IUPAC name of N,N-bis(4-propan-2-ylphenyl)-4-[(E)-2-[4-[(E)-2-[4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline (CID 22900193) is N,N-bis(4-propan-2-ylphenyl)-4-[(E)-2-[4-[(E)-2-[4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline.

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

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

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

The InChIKey is JBAMEKLYAGBPHL-WXUKJITCSA-N. The full InChI is InChI=1S/C58H60N2/c1-41(2)49-21-33-55(34-22-49)59(56-35-23-50(24-36-56)42(3)4)53-29-17-47(18-30-53)15-13-45-9-11-46(12-10-45)14-16-48-19-31-54(32-20-48)60(57-37-25-51(26-38-57)43(5)6)58-39-27-52(28-40-58)44(7)8/h9-44H,1-8H3/b15-13+,16-14+.

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

N,N-bis(4-propan-2-ylphenyl)-4-[(E)-2-[4-[(E)-2-[4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline has a molecular weight of 785.13 g/mol, XLogP of 17.46, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-propan-2-ylphenyl)-4-[(E)-2-[4-[(E)-2-[4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline is sourced from PubChem (CID 22900193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).