N-[4-(2-ethylhexoxy)phenyl]-N-[4-[(2E,4E)-5-[N-[4-(2-ethylhexoxy)phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]hexa-2,4-dien-2-yl]phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]aniline

C92H98N4O6 — CID 163422247

About N-[4-(2-ethylhexoxy)phenyl]-N-[4-[(2E,4E)-5-[N-[4-(2-ethylhexoxy)phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]hexa-2,4-dien-2-yl]phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]aniline

N-[4-(2-ethylhexoxy)phenyl]-N-[4-[(2E,4E)-5-[N-[4-(2-ethylhexoxy)phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]hexa-2,4-dien-2-yl]phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]aniline (PubChem CID 163422247) has the molecular formula C92H98N4O6 and a molecular weight of 1355.82 g/mol. Its IUPAC name is N-[4-(2-ethylhexoxy)phenyl]-N-[4-[(2E,4E)-5-[N-[4-(2-ethylhexoxy)phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]hexa-2,4-dien-2-yl]phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]aniline.

Molecular Properties

• Compound Name: N-[4-(2-ethylhexoxy)phenyl]-N-[4-[(2E,4E)-5-[N-[4-(2-ethylhexoxy)phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]hexa-2,4-dien-2-yl]phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]aniline
• PubChem CID: 163422247
• Molecular Formula: C92H98N4O6
• Molecular Weight: 1355.82 g/mol
• Exact Mass: 1354.75
• IUPAC Name: N-[4-(2-ethylhexoxy)phenyl]-N-[4-[(2E,4E)-5-[N-[4-(2-ethylhexoxy)phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]hexa-2,4-dien-2-yl]phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]aniline
• SMILES: CCCCC(CC)COc1ccc(N(/C(C)=C/C=C(\C)c2ccc(N(c3ccc(OCC(CC)CCCC)cc3)c3ccc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)cc3)cc2)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C92H98N4O6/c1-11-15-17-69(13-3)65-101-91-61-49-77(50-62-91)93(76-33-23-72(24-34-76)73-27-37-80(38-28-73)95(82-41-53-87(97-7)54-42-82)83-43-55-88(98-8)56-44-83)68(6)20-19-67(5)71-21-31-78(32-22-71)94(86-51-63-92(64-52-86)102-66-70(14-4)18-16-12-2)79-35-25-74(26-36-79)75-29-39-81(40-30-75)96(84-45-57-89(99-9)58-46-84)85-47-59-90(100-10)60-48-85/h19-64,69-70H,11-18,65-66H2,1-10H3/b67-19+,68-20+
• InChIKey: AJKWFHCDWQHCBW-YAYPNOIDSA-N
• XLogP: 25.80
• TPSA: 68.34 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 34
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1355.82
LogP ≤ 5	25.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethylhexoxy)phenyl]-N-[4-[(2E,4E)-5-[N-[4-(2-ethylhexoxy)phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]hexa-2,4-dien-2-yl]phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]aniline?

The IUPAC name of N-[4-(2-ethylhexoxy)phenyl]-N-[4-[(2E,4E)-5-[N-[4-(2-ethylhexoxy)phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]hexa-2,4-dien-2-yl]phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]aniline (CID 163422247) is N-[4-(2-ethylhexoxy)phenyl]-N-[4-[(2E,4E)-5-[N-[4-(2-ethylhexoxy)phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]hexa-2,4-dien-2-yl]phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]aniline.

What is the SMILES notation for N-[4-(2-ethylhexoxy)phenyl]-N-[4-[(2E,4E)-5-[N-[4-(2-ethylhexoxy)phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]hexa-2,4-dien-2-yl]phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]aniline?

The canonical SMILES for N-[4-(2-ethylhexoxy)phenyl]-N-[4-[(2E,4E)-5-[N-[4-(2-ethylhexoxy)phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]hexa-2,4-dien-2-yl]phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]aniline is CCCCC(CC)COc1ccc(N(/C(C)=C/C=C(\C)c2ccc(N(c3ccc(OCC(CC)CCCC)cc3)c3ccc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4)cc3)cc2)c2ccc(-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)cc1.

What is the InChIKey of N-[4-(2-ethylhexoxy)phenyl]-N-[4-[(2E,4E)-5-[N-[4-(2-ethylhexoxy)phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]hexa-2,4-dien-2-yl]phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]aniline?

The InChIKey is AJKWFHCDWQHCBW-YAYPNOIDSA-N. The full InChI is InChI=1S/C92H98N4O6/c1-11-15-17-69(13-3)65-101-91-61-49-77(50-62-91)93(76-33-23-72(24-34-76)73-27-37-80(38-28-73)95(82-41-53-87(97-7)54-42-82)83-43-55-88(98-8)56-44-83)68(6)20-19-67(5)71-21-31-78(32-22-71)94(86-51-63-92(64-52-86)102-66-70(14-4)18-16-12-2)79-35-25-74(26-36-79)75-29-39-81(40-30-75)96(84-45-57-89(99-9)58-46-84)85-47-59-90(100-10)60-48-85/h19-64,69-70H,11-18,65-66H2,1-10H3/b67-19+,68-20+.

What are the key properties of N-[4-(2-ethylhexoxy)phenyl]-N-[4-[(2E,4E)-5-[N-[4-(2-ethylhexoxy)phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]hexa-2,4-dien-2-yl]phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]aniline?

N-[4-(2-ethylhexoxy)phenyl]-N-[4-[(2E,4E)-5-[N-[4-(2-ethylhexoxy)phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]hexa-2,4-dien-2-yl]phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]aniline has a molecular weight of 1355.82 g/mol, XLogP of 25.80, 34 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-ethylhexoxy)phenyl]-N-[4-[(2E,4E)-5-[N-[4-(2-ethylhexoxy)phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]hexa-2,4-dien-2-yl]phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]aniline is sourced from PubChem (CID 163422247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).