N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-octoxy-N-(4-octoxyphenyl)aniline

C83H100F6N2O6 — CID 139670206

About N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-octoxy-N-(4-octoxyphenyl)aniline

N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-octoxy-N-(4-octoxyphenyl)aniline (PubChem CID 139670206) has the molecular formula C83H100F6N2O6 and a molecular weight of 1335.71 g/mol. Its IUPAC name is N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-octoxy-N-(4-octoxyphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-octoxy-N-(4-octoxyphenyl)aniline
• PubChem CID: 139670206
• Molecular Formula: C83H100F6N2O6
• Molecular Weight: 1335.71 g/mol
• Exact Mass: 1334.75
• IUPAC Name: N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-octoxy-N-(4-octoxyphenyl)aniline
• SMILES: CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(Oc3ccc(C(c4ccc(Oc5ccc(N(c6ccc(OCCCCCCCC)cc6)c6ccc(OCCCCCCCC)cc6)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1
• InChI: InChI=1S/C83H100F6N2O6/c1-5-9-13-17-21-25-61-92-73-49-33-67(34-50-73)90(68-35-51-74(52-36-68)93-62-26-22-18-14-10-6-2)71-41-57-79(58-42-71)96-77-45-29-65(30-46-77)81(82(84,85)86,83(87,88)89)66-31-47-78(48-32-66)97-80-59-43-72(44-60-80)91(69-37-53-75(54-38-69)94-63-27-23-19-15-11-7-3)70-39-55-76(56-40-70)95-64-28-24-20-16-12-8-4/h29-60H,5-28,61-64H2,1-4H3
• InChIKey: AIQJVEUVYCGEFR-UHFFFAOYSA-N
• XLogP: 26.58
• TPSA: 61.86 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 44
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1335.71
LogP ≤ 5	26.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-octoxy-N-(4-octoxyphenyl)aniline?

The IUPAC name of N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-octoxy-N-(4-octoxyphenyl)aniline (CID 139670206) is N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-octoxy-N-(4-octoxyphenyl)aniline.

What is the SMILES notation for N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-octoxy-N-(4-octoxyphenyl)aniline?

The canonical SMILES for N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-octoxy-N-(4-octoxyphenyl)aniline is CCCCCCCCOc1ccc(N(c2ccc(OCCCCCCCC)cc2)c2ccc(Oc3ccc(C(c4ccc(Oc5ccc(N(c6ccc(OCCCCCCCC)cc6)c6ccc(OCCCCCCCC)cc6)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1.

What is the InChIKey of N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-octoxy-N-(4-octoxyphenyl)aniline?

The InChIKey is AIQJVEUVYCGEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H100F6N2O6/c1-5-9-13-17-21-25-61-92-73-49-33-67(34-50-73)90(68-35-51-74(52-36-68)93-62-26-22-18-14-10-6-2)71-41-57-79(58-42-71)96-77-45-29-65(30-46-77)81(82(84,85)86,83(87,88)89)66-31-47-78(48-32-66)97-80-59-43-72(44-60-80)91(69-37-53-75(54-38-69)94-63-27-23-19-15-11-7-3)70-39-55-76(56-40-70)95-64-28-24-20-16-12-8-4/h29-60H,5-28,61-64H2,1-4H3.

What are the key properties of N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-octoxy-N-(4-octoxyphenyl)aniline?

N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-octoxy-N-(4-octoxyphenyl)aniline has a molecular weight of 1335.71 g/mol, XLogP of 26.58, 44 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-octoxy-N-(4-octoxyphenyl)anilino)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-4-octoxy-N-(4-octoxyphenyl)aniline is sourced from PubChem (CID 139670206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).