4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[hydroxy(diphenyl)methyl]phenol

C36H41NO2 — CID 136747675

About 4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[hydroxy(diphenyl)methyl]phenol

4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[hydroxy(diphenyl)methyl]phenol (PubChem CID 136747675) has the molecular formula C36H41NO2 and a molecular weight of 519.73 g/mol. Its IUPAC name is 4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[hydroxy(diphenyl)methyl]phenol.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[hydroxy(diphenyl)methyl]phenol
• PubChem CID: 136747675
• Molecular Formula: C36H41NO2
• Molecular Weight: 519.73 g/mol
• Exact Mass: 519.31
• IUPAC Name: 4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[hydroxy(diphenyl)methyl]phenol
• SMILES: CC(C)c1cccc(C(C)C)c1/N=C/c1cc(C(C)(C)C)cc(C(O)(c2ccccc2)c2ccccc2)c1O
• InChI: InChI=1S/C36H41NO2/c1-24(2)30-19-14-20-31(25(3)4)33(30)37-23-26-21-29(35(5,6)7)22-32(34(26)38)36(39,27-15-10-8-11-16-27)28-17-12-9-13-18-28/h8-25,38-39H,1-7H3/b37-23+
• InChIKey: BZRUVOAQFIJEOM-GUBAARJWSA-N
• XLogP: 8.97
• TPSA: 52.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.73
LogP ≤ 5	8.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[hydroxy(diphenyl)methyl]phenol?

The IUPAC name of 4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[hydroxy(diphenyl)methyl]phenol (CID 136747675) is 4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[hydroxy(diphenyl)methyl]phenol.

What is the SMILES notation for 4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[hydroxy(diphenyl)methyl]phenol?

The canonical SMILES for 4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[hydroxy(diphenyl)methyl]phenol is CC(C)c1cccc(C(C)C)c1/N=C/c1cc(C(C)(C)C)cc(C(O)(c2ccccc2)c2ccccc2)c1O.

What is the InChIKey of 4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[hydroxy(diphenyl)methyl]phenol?

The InChIKey is BZRUVOAQFIJEOM-GUBAARJWSA-N. The full InChI is InChI=1S/C36H41NO2/c1-24(2)30-19-14-20-31(25(3)4)33(30)37-23-26-21-29(35(5,6)7)22-32(34(26)38)36(39,27-15-10-8-11-16-27)28-17-12-9-13-18-28/h8-25,38-39H,1-7H3/b37-23+.

What are the key properties of 4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[hydroxy(diphenyl)methyl]phenol?

4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[hydroxy(diphenyl)methyl]phenol has a molecular weight of 519.73 g/mol, XLogP of 8.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[hydroxy(diphenyl)methyl]phenol is sourced from PubChem (CID 136747675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).