5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-5-fluoro-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-fluorophenol

C59H54F2N4O2 — CID 146268070

About 5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-5-fluoro-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-fluorophenol

5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-5-fluoro-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-fluorophenol (PubChem CID 146268070) has the molecular formula C59H54F2N4O2 and a molecular weight of 889.10 g/mol. Its IUPAC name is 5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-5-fluoro-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-fluorophenol.

Molecular Properties

• Compound Name: 5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-5-fluoro-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-fluorophenol
• PubChem CID: 146268070
• Molecular Formula: C59H54F2N4O2
• Molecular Weight: 889.10 g/mol
• Exact Mass: 888.42
• IUPAC Name: 5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-5-fluoro-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-fluorophenol
• SMILES: Cc1cc(N(c2ccccc2)c2ccccc2)cc(C)c1-c1cc(O)c(/C=N/CC(C)(C)C/N=C/c2cc(F)c(-c3c(C)cc(N(c4ccccc4)c4ccccc4)cc3C)cc2O)cc1F
• InChI: InChI=1S/C59H54F2N4O2/c1-39-27-49(64(45-19-11-7-12-20-45)46-21-13-8-14-22-46)28-40(2)57(39)51-33-55(66)43(31-53(51)60)35-62-37-59(5,6)38-63-36-44-32-54(61)52(34-56(44)67)58-41(3)29-50(30-42(58)4)65(47-23-15-9-16-24-47)48-25-17-10-18-26-48/h7-36,66-67H,37-38H2,1-6H3/b62-35+,63-36+
• InChIKey: AWJQKRFHQQKSCP-WJQFKUADSA-N
• XLogP: 15.45
• TPSA: 71.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	889.10
LogP ≤ 5	15.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-5-fluoro-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-fluorophenol?

The IUPAC name of 5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-5-fluoro-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-fluorophenol (CID 146268070) is 5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-5-fluoro-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-fluorophenol.

What is the SMILES notation for 5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-5-fluoro-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-fluorophenol?

The canonical SMILES for 5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-5-fluoro-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-fluorophenol is Cc1cc(N(c2ccccc2)c2ccccc2)cc(C)c1-c1cc(O)c(/C=N/CC(C)(C)C/N=C/c2cc(F)c(-c3c(C)cc(N(c4ccccc4)c4ccccc4)cc3C)cc2O)cc1F.

What is the InChIKey of 5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-5-fluoro-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-fluorophenol?

The InChIKey is AWJQKRFHQQKSCP-WJQFKUADSA-N. The full InChI is InChI=1S/C59H54F2N4O2/c1-39-27-49(64(45-19-11-7-12-20-45)46-21-13-8-14-22-46)28-40(2)57(39)51-33-55(66)43(31-53(51)60)35-62-37-59(5,6)38-63-36-44-32-54(61)52(34-56(44)67)58-41(3)29-50(30-42(58)4)65(47-23-15-9-16-24-47)48-25-17-10-18-26-48/h7-36,66-67H,37-38H2,1-6H3/b62-35+,63-36+.

What are the key properties of 5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-5-fluoro-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-fluorophenol?

5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-5-fluoro-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-fluorophenol has a molecular weight of 889.10 g/mol, XLogP of 15.45, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-dimethyl-4-(N-phenylanilino)phenyl]-5-fluoro-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-fluorophenol is sourced from PubChem (CID 146268070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).