1-N-[4-[4-[4-[4-[3-amino-2-(ethylideneamino)phenyl]-N-naphthalen-1-ylanilino]-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-[4-[3-amino-2-(ethylideneamino)phenyl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine

C92H70N8 — CID 155373396

About 1-N-[4-[4-[4-[4-[3-amino-2-(ethylideneamino)phenyl]-N-naphthalen-1-ylanilino]-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-[4-[3-amino-2-(ethylideneamino)phenyl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine

1-N-[4-[4-[4-[4-[3-amino-2-(ethylideneamino)phenyl]-N-naphthalen-1-ylanilino]-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-[4-[3-amino-2-(ethylideneamino)phenyl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine (PubChem CID 155373396) has the molecular formula C92H70N8 and a molecular weight of 1287.63 g/mol. Its IUPAC name is 1-N-[4-[4-[4-[4-[3-amino-2-(ethylideneamino)phenyl]-N-naphthalen-1-ylanilino]-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-[4-[3-amino-2-(ethylideneamino)phenyl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine.

Molecular Properties

• Compound Name: 1-N-[4-[4-[4-[4-[3-amino-2-(ethylideneamino)phenyl]-N-naphthalen-1-ylanilino]-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-[4-[3-amino-2-(ethylideneamino)phenyl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine
• PubChem CID: 155373396
• Molecular Formula: C92H70N8
• Molecular Weight: 1287.63 g/mol
• Exact Mass: 1286.57
• IUPAC Name: 1-N-[4-[4-[4-[4-[3-amino-2-(ethylideneamino)phenyl]-N-naphthalen-1-ylanilino]-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-[4-[3-amino-2-(ethylideneamino)phenyl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine
• SMILES: C/C=N/c1c(N)cccc1-c1ccc(N(c2ccc(N(c3ccc(-c4ccc(N(c5ccc(N(c6ccc(-c7cccc(N)c7/N=C/C)cc6)c6cccc7ccccc67)cc5)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)cc2)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C92H70N8/c1-3-95-91-83(31-17-33-85(91)93)69-43-51-73(52-44-69)99(89-37-15-25-67-21-7-11-29-81(67)89)77-59-55-75(56-60-77)97(87-35-13-23-65-19-5-9-27-79(65)87)71-47-39-63(40-48-71)64-41-49-72(50-42-64)98(88-36-14-24-66-20-6-10-28-80(66)88)76-57-61-78(62-58-76)100(90-38-16-26-68-22-8-12-30-82(68)90)74-53-45-70(46-54-74)84-32-18-34-86(94)92(84)96-4-2/h3-62H,93-94H2,1-2H3/b95-3+,96-4+
• InChIKey: IDLDOLBOPIIURJ-OQUFJXHASA-N
• XLogP: 25.79
• TPSA: 89.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1287.63
LogP ≤ 5	25.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-[4-[4-[4-[3-amino-2-(ethylideneamino)phenyl]-N-naphthalen-1-ylanilino]-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-[4-[3-amino-2-(ethylideneamino)phenyl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine?

The IUPAC name of 1-N-[4-[4-[4-[4-[3-amino-2-(ethylideneamino)phenyl]-N-naphthalen-1-ylanilino]-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-[4-[3-amino-2-(ethylideneamino)phenyl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine (CID 155373396) is 1-N-[4-[4-[4-[4-[3-amino-2-(ethylideneamino)phenyl]-N-naphthalen-1-ylanilino]-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-[4-[3-amino-2-(ethylideneamino)phenyl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine.

What is the SMILES notation for 1-N-[4-[4-[4-[4-[3-amino-2-(ethylideneamino)phenyl]-N-naphthalen-1-ylanilino]-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-[4-[3-amino-2-(ethylideneamino)phenyl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine?

The canonical SMILES for 1-N-[4-[4-[4-[4-[3-amino-2-(ethylideneamino)phenyl]-N-naphthalen-1-ylanilino]-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-[4-[3-amino-2-(ethylideneamino)phenyl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine is C/C=N/c1c(N)cccc1-c1ccc(N(c2ccc(N(c3ccc(-c4ccc(N(c5ccc(N(c6ccc(-c7cccc(N)c7/N=C/C)cc6)c6cccc7ccccc67)cc5)c5cccc6ccccc56)cc4)cc3)c3cccc4ccccc34)cc2)c2cccc3ccccc23)cc1.

What is the InChIKey of 1-N-[4-[4-[4-[4-[3-amino-2-(ethylideneamino)phenyl]-N-naphthalen-1-ylanilino]-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-[4-[3-amino-2-(ethylideneamino)phenyl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine?

The InChIKey is IDLDOLBOPIIURJ-OQUFJXHASA-N. The full InChI is InChI=1S/C92H70N8/c1-3-95-91-83(31-17-33-85(91)93)69-43-51-73(52-44-69)99(89-37-15-25-67-21-7-11-29-81(67)89)77-59-55-75(56-60-77)97(87-35-13-23-65-19-5-9-27-79(65)87)71-47-39-63(40-48-71)64-41-49-72(50-42-64)98(88-36-14-24-66-20-6-10-28-80(66)88)76-57-61-78(62-58-76)100(90-38-16-26-68-22-8-12-30-82(68)90)74-53-45-70(46-54-74)84-32-18-34-86(94)92(84)96-4-2/h3-62H,93-94H2,1-2H3/b95-3+,96-4+.

What are the key properties of 1-N-[4-[4-[4-[4-[3-amino-2-(ethylideneamino)phenyl]-N-naphthalen-1-ylanilino]-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-[4-[3-amino-2-(ethylideneamino)phenyl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine?

1-N-[4-[4-[4-[4-[3-amino-2-(ethylideneamino)phenyl]-N-naphthalen-1-ylanilino]-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-[4-[3-amino-2-(ethylideneamino)phenyl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine has a molecular weight of 1287.63 g/mol, XLogP of 25.79, 17 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[4-[4-[4-[4-[3-amino-2-(ethylideneamino)phenyl]-N-naphthalen-1-ylanilino]-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-[4-[3-amino-2-(ethylideneamino)phenyl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine is sourced from PubChem (CID 155373396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).