N-[4-[4-[3-[4-[4-(4-bromophenyl)-N-[3-ethyl-4-(4-octan-2-ylphenyl)phenyl]anilino]phenyl]-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]-3-ethyl-4-(4-octan-2-ylphenyl)aniline

C102H98Br2N2 — CID 89043688

About N-[4-[4-[3-[4-[4-(4-bromophenyl)-N-[3-ethyl-4-(4-octan-2-ylphenyl)phenyl]anilino]phenyl]-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]-3-ethyl-4-(4-octan-2-ylphenyl)aniline

N-[4-[4-[3-[4-[4-(4-bromophenyl)-N-[3-ethyl-4-(4-octan-2-ylphenyl)phenyl]anilino]phenyl]-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]-3-ethyl-4-(4-octan-2-ylphenyl)aniline (PubChem CID 89043688) has the molecular formula C102H98Br2N2 and a molecular weight of 1511.73 g/mol. Its IUPAC name is N-[4-[4-[3-[4-[4-(4-bromophenyl)-N-[3-ethyl-4-(4-octan-2-ylphenyl)phenyl]anilino]phenyl]-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]-3-ethyl-4-(4-octan-2-ylphenyl)aniline.

Molecular Properties

• Compound Name: N-[4-[4-[3-[4-[4-(4-bromophenyl)-N-[3-ethyl-4-(4-octan-2-ylphenyl)phenyl]anilino]phenyl]-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]-3-ethyl-4-(4-octan-2-ylphenyl)aniline
• PubChem CID: 89043688
• Molecular Formula: C102H98Br2N2
• Molecular Weight: 1511.73 g/mol
• Exact Mass: 1508.61
• IUPAC Name: N-[4-[4-[3-[4-[4-(4-bromophenyl)-N-[3-ethyl-4-(4-octan-2-ylphenyl)phenyl]anilino]phenyl]-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]-3-ethyl-4-(4-octan-2-ylphenyl)aniline
• SMILES: CCCCCCC(C)c1ccc(-c2ccc(N(c3ccc(-c4ccc(Br)cc4)cc3)c3ccc(-c4cc5ccccc5c(-c5c(C)c(-c6ccc(N(c7ccc(-c8ccc(Br)cc8)cc7)c7ccc(-c8ccc(C(C)CCCCCC)cc8)c(CC)c7)cc6)cc6ccccc56)c4C)cc3)cc2CC)cc1
• InChI: InChI=1S/C102H98Br2N2/c1-9-13-15-17-23-69(5)75-29-33-81(34-30-75)95-63-61-93(65-73(95)11-3)105(89-53-41-79(42-54-89)77-37-49-87(103)50-38-77)91-57-45-83(46-58-91)99-67-85-25-19-21-27-97(85)101(71(99)7)102-72(8)100(68-86-26-20-22-28-98(86)102)84-47-59-92(60-48-84)106(90-55-43-80(44-56-90)78-39-51-88(104)52-40-78)94-62-64-96(74(12-4)66-94)82-35-31-76(32-36-82)70(6)24-18-16-14-10-2/h19-22,25-70H,9-18,23-24H2,1-8H3
• InChIKey: NXTGUBUNRAHEIR-UHFFFAOYSA-N
• XLogP: 32.02
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 27
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1511.73
LogP ≤ 5	32.02
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-[4-[3-[4-[4-(4-bromophenyl)-N-[3-ethyl-4-(4-octan-2-ylphenyl)phenyl]anilino]phenyl]-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]-3-ethyl-4-(4-octan-2-ylphenyl)aniline?

The IUPAC name of N-[4-[4-[3-[4-[4-(4-bromophenyl)-N-[3-ethyl-4-(4-octan-2-ylphenyl)phenyl]anilino]phenyl]-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]-3-ethyl-4-(4-octan-2-ylphenyl)aniline (CID 89043688) is N-[4-[4-[3-[4-[4-(4-bromophenyl)-N-[3-ethyl-4-(4-octan-2-ylphenyl)phenyl]anilino]phenyl]-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]-3-ethyl-4-(4-octan-2-ylphenyl)aniline.

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

The canonical SMILES for N-[4-[4-[3-[4-[4-(4-bromophenyl)-N-[3-ethyl-4-(4-octan-2-ylphenyl)phenyl]anilino]phenyl]-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]-3-ethyl-4-(4-octan-2-ylphenyl)aniline is CCCCCCC(C)c1ccc(-c2ccc(N(c3ccc(-c4ccc(Br)cc4)cc3)c3ccc(-c4cc5ccccc5c(-c5c(C)c(-c6ccc(N(c7ccc(-c8ccc(Br)cc8)cc7)c7ccc(-c8ccc(C(C)CCCCCC)cc8)c(CC)c7)cc6)cc6ccccc56)c4C)cc3)cc2CC)cc1.

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

The InChIKey is NXTGUBUNRAHEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H98Br2N2/c1-9-13-15-17-23-69(5)75-29-33-81(34-30-75)95-63-61-93(65-73(95)11-3)105(89-53-41-79(42-54-89)77-37-49-87(103)50-38-77)91-57-45-83(46-58-91)99-67-85-25-19-21-27-97(85)101(71(99)7)102-72(8)100(68-86-26-20-22-28-98(86)102)84-47-59-92(60-48-84)106(90-55-43-80(44-56-90)78-39-51-88(104)52-40-78)94-62-64-96(74(12-4)66-94)82-35-31-76(32-36-82)70(6)24-18-16-14-10-2/h19-22,25-70H,9-18,23-24H2,1-8H3.

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

N-[4-[4-[3-[4-[4-(4-bromophenyl)-N-[3-ethyl-4-(4-octan-2-ylphenyl)phenyl]anilino]phenyl]-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]-3-ethyl-4-(4-octan-2-ylphenyl)aniline has a molecular weight of 1511.73 g/mol, XLogP of 32.02, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[3-[4-[4-(4-bromophenyl)-N-[3-ethyl-4-(4-octan-2-ylphenyl)phenyl]anilino]phenyl]-2-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl]phenyl]-N-[4-(4-bromophenyl)phenyl]-3-ethyl-4-(4-octan-2-ylphenyl)aniline is sourced from PubChem (CID 89043688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).