N-[4-[2-ethyl-4-[4-[3-ethyl-4-[4-(N-[(Z)-4-methylpent-2-en-3-yl]-4-phenylanilino)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]-4-phenylaniline

C88H98N2 — CID 126571317

About N-[4-[2-ethyl-4-[4-[3-ethyl-4-[4-(N-[(Z)-4-methylpent-2-en-3-yl]-4-phenylanilino)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]-4-phenylaniline

N-[4-[2-ethyl-4-[4-[3-ethyl-4-[4-(N-[(Z)-4-methylpent-2-en-3-yl]-4-phenylanilino)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]-4-phenylaniline (PubChem CID 126571317) has the molecular formula C88H98N2 and a molecular weight of 1183.77 g/mol. Its IUPAC name is N-[4-[2-ethyl-4-[4-[3-ethyl-4-[4-(N-[(Z)-4-methylpent-2-en-3-yl]-4-phenylanilino)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]-4-phenylaniline.

Molecular Properties

• Compound Name: N-[4-[2-ethyl-4-[4-[3-ethyl-4-[4-(N-[(Z)-4-methylpent-2-en-3-yl]-4-phenylanilino)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]-4-phenylaniline
• PubChem CID: 126571317
• Molecular Formula: C88H98N2
• Molecular Weight: 1183.77 g/mol
• Exact Mass: 1182.77
• IUPAC Name: N-[4-[2-ethyl-4-[4-[3-ethyl-4-[4-(N-[(Z)-4-methylpent-2-en-3-yl]-4-phenylanilino)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]-4-phenylaniline
• SMILES: C/C=C(/C(C)C)N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(-c3cc(CCCCCC)c(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(C(C)(CC)CC)cc6)cc5)c(CC)c4)cc3CCCCCC)cc2CC)cc1
• InChI: InChI=1S/C88H98N2/c1-11-18-20-24-34-73-63-86(76-45-59-84(66(14-4)61-76)72-42-54-82(55-43-72)90(87(15-5)64(8)9)81-50-38-70(39-51-81)68-32-28-23-29-33-68)74(35-25-21-19-12-2)62-85(73)75-44-58-83(65(13-3)60-75)71-40-52-79(53-41-71)89(80-56-46-77(47-57-80)88(10,16-6)17-7)78-48-36-69(37-49-78)67-30-26-22-27-31-67/h15,22-23,26-33,36-64H,11-14,16-21,24-25,34-35H2,1-10H3/b87-15-
• InChIKey: RXUYFMCXOIUOTJ-IVVPUKOZSA-N
• XLogP: 26.30
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 28
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1183.77
LogP ≤ 5	26.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-ethyl-4-[4-[3-ethyl-4-[4-(N-[(Z)-4-methylpent-2-en-3-yl]-4-phenylanilino)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]-4-phenylaniline?

The IUPAC name of N-[4-[2-ethyl-4-[4-[3-ethyl-4-[4-(N-[(Z)-4-methylpent-2-en-3-yl]-4-phenylanilino)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]-4-phenylaniline (CID 126571317) is N-[4-[2-ethyl-4-[4-[3-ethyl-4-[4-(N-[(Z)-4-methylpent-2-en-3-yl]-4-phenylanilino)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]-4-phenylaniline.

What is the SMILES notation for N-[4-[2-ethyl-4-[4-[3-ethyl-4-[4-(N-[(Z)-4-methylpent-2-en-3-yl]-4-phenylanilino)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]-4-phenylaniline?

The canonical SMILES for N-[4-[2-ethyl-4-[4-[3-ethyl-4-[4-(N-[(Z)-4-methylpent-2-en-3-yl]-4-phenylanilino)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]-4-phenylaniline is C/C=C(/C(C)C)N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(-c3cc(CCCCCC)c(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(C(C)(CC)CC)cc6)cc5)c(CC)c4)cc3CCCCCC)cc2CC)cc1.

What is the InChIKey of N-[4-[2-ethyl-4-[4-[3-ethyl-4-[4-(N-[(Z)-4-methylpent-2-en-3-yl]-4-phenylanilino)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]-4-phenylaniline?

The InChIKey is RXUYFMCXOIUOTJ-IVVPUKOZSA-N. The full InChI is InChI=1S/C88H98N2/c1-11-18-20-24-34-73-63-86(76-45-59-84(66(14-4)61-76)72-42-54-82(55-43-72)90(87(15-5)64(8)9)81-50-38-70(39-51-81)68-32-28-23-29-33-68)74(35-25-21-19-12-2)62-85(73)75-44-58-83(65(13-3)60-75)71-40-52-79(53-41-71)89(80-56-46-77(47-57-80)88(10,16-6)17-7)78-48-36-69(37-49-78)67-30-26-22-27-31-67/h15,22-23,26-33,36-64H,11-14,16-21,24-25,34-35H2,1-10H3/b87-15-.

What are the key properties of N-[4-[2-ethyl-4-[4-[3-ethyl-4-[4-(N-[(Z)-4-methylpent-2-en-3-yl]-4-phenylanilino)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]-4-phenylaniline?

N-[4-[2-ethyl-4-[4-[3-ethyl-4-[4-(N-[(Z)-4-methylpent-2-en-3-yl]-4-phenylanilino)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]-4-phenylaniline has a molecular weight of 1183.77 g/mol, XLogP of 26.30, 28 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-ethyl-4-[4-[3-ethyl-4-[4-(N-[(Z)-4-methylpent-2-en-3-yl]-4-phenylanilino)phenyl]phenyl]-2,5-dihexylphenyl]phenyl]phenyl]-N-[4-(3-methylpentan-3-yl)phenyl]-4-phenylaniline is sourced from PubChem (CID 126571317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).