4-[2,5-dihexyl-4-[2-methyl-4-[N-(3-methylphenyl)-4-(4-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline;3-ethyl-N-[4-[4-[4-[N-[3-ethyl-4-(4-octylphenyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]-2,5-dihexylphenyl]phenyl]-N-[4-(4-methylphenyl)phenyl]-4-(4-octylphenyl)aniline

C172H192N4 — CID 157408335

About 4-[2,5-dihexyl-4-[2-methyl-4-[N-(3-methylphenyl)-4-(4-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline;3-ethyl-N-[4-[4-[4-[N-[3-ethyl-4-(4-octylphenyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]-2,5-dihexylphenyl]phenyl]-N-[4-(4-methylphenyl)phenyl]-4-(4-octylphenyl)aniline

4-[2,5-dihexyl-4-[2-methyl-4-[N-(3-methylphenyl)-4-(4-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline;3-ethyl-N-[4-[4-[4-[N-[3-ethyl-4-(4-octylphenyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]-2,5-dihexylphenyl]phenyl]-N-[4-(4-methylphenyl)phenyl]-4-(4-octylphenyl)aniline (PubChem CID 157408335) has the molecular formula C172H192N4 and a molecular weight of 2315.46 g/mol. Its IUPAC name is 4-[2,5-dihexyl-4-[2-methyl-4-[N-(3-methylphenyl)-4-(4-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline;3-ethyl-N-[4-[4-[4-[N-[3-ethyl-4-(4-octylphenyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]-2,5-dihexylphenyl]phenyl]-N-[4-(4-methylphenyl)phenyl]-4-(4-octylphenyl)aniline.

Molecular Properties

• Compound Name: 4-[2,5-dihexyl-4-[2-methyl-4-[N-(3-methylphenyl)-4-(4-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline;3-ethyl-N-[4-[4-[4-[N-[3-ethyl-4-(4-octylphenyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]-2,5-dihexylphenyl]phenyl]-N-[4-(4-methylphenyl)phenyl]-4-(4-octylphenyl)aniline
• PubChem CID: 157408335
• Molecular Formula: C172H192N4
• Molecular Weight: 2315.46 g/mol
• Exact Mass: 2313.51
• IUPAC Name: 4-[2,5-dihexyl-4-[2-methyl-4-[N-(3-methylphenyl)-4-(4-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline;3-ethyl-N-[4-[4-[4-[N-[3-ethyl-4-(4-octylphenyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]-2,5-dihexylphenyl]phenyl]-N-[4-(4-methylphenyl)phenyl]-4-(4-octylphenyl)aniline
• SMILES: CCCCCCCCc1ccc(-c2ccc(N(c3ccc(-c4ccc(C)cc4)cc3)c3ccc(-c4cc(CCCCCC)c(-c5ccc(N(c6ccc(-c7ccc(C)cc7)cc6)c6ccc(-c7ccc(CCCCCCCC)cc7)c(CC)c6)cc5)cc4CCCCCC)cc3)cc2CC)cc1.CCCCCCc1cc(-c2ccc(N(c3ccc(-c4ccc(C)cc4)cc3)c3cccc(C)c3)cc2C)c(CCCCCC)cc1-c1ccc(N(c2ccc(-c3ccc(C)cc3)cc2)c2cccc(C)c2)cc1C
• InChI: InChI=1S/C100H116N2.C72H76N2/c1-9-15-19-23-25-27-31-77-39-47-85(48-40-77)97-69-67-95(71-79(97)13-5)101(91-59-51-83(52-60-91)81-43-35-75(7)36-44-81)93-63-55-87(56-64-93)99-73-90(34-30-22-18-12-4)100(74-89(99)33-29-21-17-11-3)88-57-65-94(66-58-88)102(92-61-53-84(54-62-92)82-45-37-76(8)38-46-82)96-68-70-98(80(14-6)72-96)86-49-41-78(42-50-86)32-28-26-24-20-16-10-2;1-9-11-13-15-21-61-49-72(70-44-42-68(48-56(70)8)74(66-24-18-20-54(6)46-66)64-39-35-60(36-40-64)58-31-27-52(4)28-32-58)62(22-16-14-12-10-2)50-71(61)69-43-41-67(47-55(69)7)73(65-23-17-19-53(5)45-65)63-37-33-59(34-38-63)57-29-25-51(3)26-30-57/h35-74H,9-34H2,1-8H3;17-20,23-50H,9-16,21-22H2,1-8H3
• InChIKey: BNZHBYXVHOHLRU-UHFFFAOYSA-N
• XLogP: 51.81
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 58
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2315.46
LogP ≤ 5	51.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-dihexyl-4-[2-methyl-4-[N-(3-methylphenyl)-4-(4-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline;3-ethyl-N-[4-[4-[4-[N-[3-ethyl-4-(4-octylphenyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]-2,5-dihexylphenyl]phenyl]-N-[4-(4-methylphenyl)phenyl]-4-(4-octylphenyl)aniline?

The IUPAC name of 4-[2,5-dihexyl-4-[2-methyl-4-[N-(3-methylphenyl)-4-(4-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline;3-ethyl-N-[4-[4-[4-[N-[3-ethyl-4-(4-octylphenyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]-2,5-dihexylphenyl]phenyl]-N-[4-(4-methylphenyl)phenyl]-4-(4-octylphenyl)aniline (CID 157408335) is 4-[2,5-dihexyl-4-[2-methyl-4-[N-(3-methylphenyl)-4-(4-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline;3-ethyl-N-[4-[4-[4-[N-[3-ethyl-4-(4-octylphenyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]-2,5-dihexylphenyl]phenyl]-N-[4-(4-methylphenyl)phenyl]-4-(4-octylphenyl)aniline.

What is the SMILES notation for 4-[2,5-dihexyl-4-[2-methyl-4-[N-(3-methylphenyl)-4-(4-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline;3-ethyl-N-[4-[4-[4-[N-[3-ethyl-4-(4-octylphenyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]-2,5-dihexylphenyl]phenyl]-N-[4-(4-methylphenyl)phenyl]-4-(4-octylphenyl)aniline?

The canonical SMILES for 4-[2,5-dihexyl-4-[2-methyl-4-[N-(3-methylphenyl)-4-(4-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline;3-ethyl-N-[4-[4-[4-[N-[3-ethyl-4-(4-octylphenyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]-2,5-dihexylphenyl]phenyl]-N-[4-(4-methylphenyl)phenyl]-4-(4-octylphenyl)aniline is CCCCCCCCc1ccc(-c2ccc(N(c3ccc(-c4ccc(C)cc4)cc3)c3ccc(-c4cc(CCCCCC)c(-c5ccc(N(c6ccc(-c7ccc(C)cc7)cc6)c6ccc(-c7ccc(CCCCCCCC)cc7)c(CC)c6)cc5)cc4CCCCCC)cc3)cc2CC)cc1.CCCCCCc1cc(-c2ccc(N(c3ccc(-c4ccc(C)cc4)cc3)c3cccc(C)c3)cc2C)c(CCCCCC)cc1-c1ccc(N(c2ccc(-c3ccc(C)cc3)cc2)c2cccc(C)c2)cc1C.

What is the InChIKey of 4-[2,5-dihexyl-4-[2-methyl-4-[N-(3-methylphenyl)-4-(4-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline;3-ethyl-N-[4-[4-[4-[N-[3-ethyl-4-(4-octylphenyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]-2,5-dihexylphenyl]phenyl]-N-[4-(4-methylphenyl)phenyl]-4-(4-octylphenyl)aniline?

The InChIKey is BNZHBYXVHOHLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H116N2.C72H76N2/c1-9-15-19-23-25-27-31-77-39-47-85(48-40-77)97-69-67-95(71-79(97)13-5)101(91-59-51-83(52-60-91)81-43-35-75(7)36-44-81)93-63-55-87(56-64-93)99-73-90(34-30-22-18-12-4)100(74-89(99)33-29-21-17-11-3)88-57-65-94(66-58-88)102(92-61-53-84(54-62-92)82-45-37-76(8)38-46-82)96-68-70-98(80(14-6)72-96)86-49-41-78(42-50-86)32-28-26-24-20-16-10-2;1-9-11-13-15-21-61-49-72(70-44-42-68(48-56(70)8)74(66-24-18-20-54(6)46-66)64-39-35-60(36-40-64)58-31-27-52(4)28-32-58)62(22-16-14-12-10-2)50-71(61)69-43-41-67(47-55(69)7)73(65-23-17-19-53(5)45-65)63-37-33-59(34-38-63)57-29-25-51(3)26-30-57/h35-74H,9-34H2,1-8H3;17-20,23-50H,9-16,21-22H2,1-8H3.

What are the key properties of 4-[2,5-dihexyl-4-[2-methyl-4-[N-(3-methylphenyl)-4-(4-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline;3-ethyl-N-[4-[4-[4-[N-[3-ethyl-4-(4-octylphenyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]-2,5-dihexylphenyl]phenyl]-N-[4-(4-methylphenyl)phenyl]-4-(4-octylphenyl)aniline?

4-[2,5-dihexyl-4-[2-methyl-4-[N-(3-methylphenyl)-4-(4-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline;3-ethyl-N-[4-[4-[4-[N-[3-ethyl-4-(4-octylphenyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]-2,5-dihexylphenyl]phenyl]-N-[4-(4-methylphenyl)phenyl]-4-(4-octylphenyl)aniline has a molecular weight of 2315.46 g/mol, XLogP of 51.81, 58 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2,5-dihexyl-4-[2-methyl-4-[N-(3-methylphenyl)-4-(4-methylphenyl)anilino]phenyl]phenyl]-3-methyl-N-(3-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline;3-ethyl-N-[4-[4-[4-[N-[3-ethyl-4-(4-octylphenyl)phenyl]-4-(4-methylphenyl)anilino]phenyl]-2,5-dihexylphenyl]phenyl]-N-[4-(4-methylphenyl)phenyl]-4-(4-octylphenyl)aniline is sourced from PubChem (CID 157408335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).