4-(4-bromophenyl)-N-[4-[4-[4-[4-[4-(4-bromophenyl)-N-[4-(4-bromophenyl)phenyl]anilino]phenyl]-2-octylnaphthalen-1-yl]-3-octylnaphthalen-1-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]aniline

C96H84Br4N2 — CID 169304138

About 4-(4-bromophenyl)-N-[4-[4-[4-[4-[4-(4-bromophenyl)-N-[4-(4-bromophenyl)phenyl]anilino]phenyl]-2-octylnaphthalen-1-yl]-3-octylnaphthalen-1-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]aniline

4-(4-bromophenyl)-N-[4-[4-[4-[4-[4-(4-bromophenyl)-N-[4-(4-bromophenyl)phenyl]anilino]phenyl]-2-octylnaphthalen-1-yl]-3-octylnaphthalen-1-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]aniline (PubChem CID 169304138) has the molecular formula C96H84Br4N2 and a molecular weight of 1585.36 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[4-[4-[4-[4-[4-(4-bromophenyl)-N-[4-(4-bromophenyl)phenyl]anilino]phenyl]-2-octylnaphthalen-1-yl]-3-octylnaphthalen-1-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]aniline.

Molecular Properties

• Compound Name: 4-(4-bromophenyl)-N-[4-[4-[4-[4-[4-(4-bromophenyl)-N-[4-(4-bromophenyl)phenyl]anilino]phenyl]-2-octylnaphthalen-1-yl]-3-octylnaphthalen-1-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]aniline
• PubChem CID: 169304138
• Molecular Formula: C96H84Br4N2
• Molecular Weight: 1585.36 g/mol
• Exact Mass: 1580.34
• IUPAC Name: 4-(4-bromophenyl)-N-[4-[4-[4-[4-[4-(4-bromophenyl)-N-[4-(4-bromophenyl)phenyl]anilino]phenyl]-2-octylnaphthalen-1-yl]-3-octylnaphthalen-1-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]aniline
• SMILES: CCCCCCCCc1cc(-c2ccc(N(c3ccc(-c4ccc(Br)cc4)cc3)c3ccc(-c4ccc(Br)cc4)cc3)cc2)c2ccccc2c1-c1c(CCCCCCCC)cc(-c2ccc(N(c3ccc(-c4ccc(Br)cc4)cc3)c3ccc(-c4ccc(Br)cc4)cc3)cc2)c2ccccc12
• InChI: InChI=1S/C96H84Br4N2/c1-3-5-7-9-11-13-19-77-65-93(75-41-61-87(62-42-75)101(83-53-33-71(34-54-83)67-25-45-79(97)46-26-67)84-55-35-72(36-56-84)68-27-47-80(98)48-28-68)89-21-15-17-23-91(89)95(77)96-78(20-14-12-10-8-6-4-2)66-94(90-22-16-18-24-92(90)96)76-43-63-88(64-44-76)102(85-57-37-73(38-58-85)69-29-49-81(99)50-30-69)86-59-39-74(40-60-86)70-31-51-82(100)52-32-70/h15-18,21-66H,3-14,19-20H2,1-2H3
• InChIKey: JYAXAYSEDBGOQS-UHFFFAOYSA-N
• XLogP: 31.46
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 27
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1585.36
LogP ≤ 5	31.46
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 4-(4-bromophenyl)-N-[4-[4-[4-[4-[4-(4-bromophenyl)-N-[4-(4-bromophenyl)phenyl]anilino]phenyl]-2-octylnaphthalen-1-yl]-3-octylnaphthalen-1-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]aniline?

The IUPAC name of 4-(4-bromophenyl)-N-[4-[4-[4-[4-[4-(4-bromophenyl)-N-[4-(4-bromophenyl)phenyl]anilino]phenyl]-2-octylnaphthalen-1-yl]-3-octylnaphthalen-1-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]aniline (CID 169304138) is 4-(4-bromophenyl)-N-[4-[4-[4-[4-[4-(4-bromophenyl)-N-[4-(4-bromophenyl)phenyl]anilino]phenyl]-2-octylnaphthalen-1-yl]-3-octylnaphthalen-1-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]aniline.

What is the SMILES notation for 4-(4-bromophenyl)-N-[4-[4-[4-[4-[4-(4-bromophenyl)-N-[4-(4-bromophenyl)phenyl]anilino]phenyl]-2-octylnaphthalen-1-yl]-3-octylnaphthalen-1-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]aniline?

The canonical SMILES for 4-(4-bromophenyl)-N-[4-[4-[4-[4-[4-(4-bromophenyl)-N-[4-(4-bromophenyl)phenyl]anilino]phenyl]-2-octylnaphthalen-1-yl]-3-octylnaphthalen-1-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]aniline is CCCCCCCCc1cc(-c2ccc(N(c3ccc(-c4ccc(Br)cc4)cc3)c3ccc(-c4ccc(Br)cc4)cc3)cc2)c2ccccc2c1-c1c(CCCCCCCC)cc(-c2ccc(N(c3ccc(-c4ccc(Br)cc4)cc3)c3ccc(-c4ccc(Br)cc4)cc3)cc2)c2ccccc12.

What is the InChIKey of 4-(4-bromophenyl)-N-[4-[4-[4-[4-[4-(4-bromophenyl)-N-[4-(4-bromophenyl)phenyl]anilino]phenyl]-2-octylnaphthalen-1-yl]-3-octylnaphthalen-1-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]aniline?

The InChIKey is JYAXAYSEDBGOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H84Br4N2/c1-3-5-7-9-11-13-19-77-65-93(75-41-61-87(62-42-75)101(83-53-33-71(34-54-83)67-25-45-79(97)46-26-67)84-55-35-72(36-56-84)68-27-47-80(98)48-28-68)89-21-15-17-23-91(89)95(77)96-78(20-14-12-10-8-6-4-2)66-94(90-22-16-18-24-92(90)96)76-43-63-88(64-44-76)102(85-57-37-73(38-58-85)69-29-49-81(99)50-30-69)86-59-39-74(40-60-86)70-31-51-82(100)52-32-70/h15-18,21-66H,3-14,19-20H2,1-2H3.

What are the key properties of 4-(4-bromophenyl)-N-[4-[4-[4-[4-[4-(4-bromophenyl)-N-[4-(4-bromophenyl)phenyl]anilino]phenyl]-2-octylnaphthalen-1-yl]-3-octylnaphthalen-1-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]aniline?

4-(4-bromophenyl)-N-[4-[4-[4-[4-[4-(4-bromophenyl)-N-[4-(4-bromophenyl)phenyl]anilino]phenyl]-2-octylnaphthalen-1-yl]-3-octylnaphthalen-1-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]aniline has a molecular weight of 1585.36 g/mol, XLogP of 31.46, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-bromophenyl)-N-[4-[4-[4-[4-[4-(4-bromophenyl)-N-[4-(4-bromophenyl)phenyl]anilino]phenyl]-2-octylnaphthalen-1-yl]-3-octylnaphthalen-1-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]aniline is sourced from PubChem (CID 169304138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).