2-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]-6-phenylphenol

C30H30N2O — CID 136726129

About 2-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]-6-phenylphenol

2-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]-6-phenylphenol (PubChem CID 136726129) has the molecular formula C30H30N2O and a molecular weight of 434.58 g/mol. Its IUPAC name is 2-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]-6-phenylphenol.

Molecular Properties

• Compound Name: 2-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]-6-phenylphenol
• PubChem CID: 136726129
• Molecular Formula: C30H30N2O
• Molecular Weight: 434.58 g/mol
• Exact Mass: 434.24
• IUPAC Name: 2-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]-6-phenylphenol
• SMILES: CC(C)c1cccc(C(C)C)c1/N=C/c1cccc(-c2cccc(-c3ccccc3)c2O)n1
• InChI: InChI=1S/C30H30N2O/c1-20(2)24-14-9-15-25(21(3)4)29(24)31-19-23-13-8-18-28(32-23)27-17-10-16-26(30(27)33)22-11-6-5-7-12-22/h5-21,33H,1-4H3/b31-19+
• InChIKey: LYKHWXPFWANCBK-ZCTHSVRISA-N
• XLogP: 8.12
• TPSA: 45.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.58
LogP ≤ 5	8.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]-6-phenylphenol?

The IUPAC name of 2-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]-6-phenylphenol (CID 136726129) is 2-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]-6-phenylphenol.

What is the SMILES notation for 2-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]-6-phenylphenol?

The canonical SMILES for 2-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]-6-phenylphenol is CC(C)c1cccc(C(C)C)c1/N=C/c1cccc(-c2cccc(-c3ccccc3)c2O)n1.

What is the InChIKey of 2-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]-6-phenylphenol?

The InChIKey is LYKHWXPFWANCBK-ZCTHSVRISA-N. The full InChI is InChI=1S/C30H30N2O/c1-20(2)24-14-9-15-25(21(3)4)29(24)31-19-23-13-8-18-28(32-23)27-17-10-16-26(30(27)33)22-11-6-5-7-12-22/h5-21,33H,1-4H3/b31-19+.

What are the key properties of 2-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]-6-phenylphenol?

2-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]-6-phenylphenol has a molecular weight of 434.58 g/mol, XLogP of 8.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]-6-phenylphenol is sourced from PubChem (CID 136726129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).