5-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol

C79H64N4O2 — CID 146268095

About 5-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol

5-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol (PubChem CID 146268095) has the molecular formula C79H64N4O2 and a molecular weight of 1101.41 g/mol. Its IUPAC name is 5-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol.

Molecular Properties

• Compound Name: 5-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol
• PubChem CID: 146268095
• Molecular Formula: C79H64N4O2
• Molecular Weight: 1101.41 g/mol
• Exact Mass: 1100.50
• IUPAC Name: 5-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol
• SMILES: CC(C)(C/N=C/c1ccc(-c2c(-c3ccccc3)cc(N(c3ccccc3)c3ccccc3)cc2-c2ccccc2)cc1O)C/N=C/c1ccc(-c2c(-c3ccccc3)cc(N(c3ccccc3)c3ccccc3)cc2-c2ccccc2)cc1O
• InChI: InChI=1S/C79H64N4O2/c1-79(2,55-80-53-63-45-43-61(47-75(63)84)77-71(57-27-11-3-12-28-57)49-69(50-72(77)58-29-13-4-14-30-58)82(65-35-19-7-20-36-65)66-37-21-8-22-38-66)56-81-54-64-46-44-62(48-76(64)85)78-73(59-31-15-5-16-32-59)51-70(52-74(78)60-33-17-6-18-34-60)83(67-39-23-9-24-40-67)68-41-25-10-26-42-68/h3-54,84-85H,55-56H2,1-2H3/b80-53+,81-54+
• InChIKey: WCEPXLAXNJYKLB-SRIFGTLTSA-N
• XLogP: 20.60
• TPSA: 71.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1101.41
LogP ≤ 5	20.60
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-diphenyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol?

The IUPAC name of 5-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol (CID 146268095) is 5-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol.

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

The canonical SMILES for 5-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol is CC(C)(C/N=C/c1ccc(-c2c(-c3ccccc3)cc(N(c3ccccc3)c3ccccc3)cc2-c2ccccc2)cc1O)C/N=C/c1ccc(-c2c(-c3ccccc3)cc(N(c3ccccc3)c3ccccc3)cc2-c2ccccc2)cc1O.

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

The InChIKey is WCEPXLAXNJYKLB-SRIFGTLTSA-N. The full InChI is InChI=1S/C79H64N4O2/c1-79(2,55-80-53-63-45-43-61(47-75(63)84)77-71(57-27-11-3-12-28-57)49-69(50-72(77)58-29-13-4-14-30-58)82(65-35-19-7-20-36-65)66-37-21-8-22-38-66)56-81-54-64-46-44-62(48-76(64)85)78-73(59-31-15-5-16-32-59)51-70(52-74(78)60-33-17-6-18-34-60)83(67-39-23-9-24-40-67)68-41-25-10-26-42-68/h3-54,84-85H,55-56H2,1-2H3/b80-53+,81-54+.

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

5-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol has a molecular weight of 1101.41 g/mol, XLogP of 20.60, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol is sourced from PubChem (CID 146268095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).