2-[[8-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol

C36H42N2O2 — CID 137156887

About 2-[[8-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol

2-[[8-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol (PubChem CID 137156887) has the molecular formula C36H42N2O2 and a molecular weight of 534.74 g/mol. Its IUPAC name is 2-[[8-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol.

Molecular Properties

• Compound Name: 2-[[8-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol
• PubChem CID: 137156887
• Molecular Formula: C36H42N2O2
• Molecular Weight: 534.74 g/mol
• Exact Mass: 534.32
• IUPAC Name: 2-[[8-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol
• SMILES: Cc1cc(CCC(C)C)cc(/C=N\c2cccc3cccc(/N=C/c4cc(CCC(C)C)cc(C)c4O)c23)c1O
• InChI: InChI=1S/C36H42N2O2/c1-23(2)13-15-27-17-25(5)35(39)30(19-27)21-37-32-11-7-9-29-10-8-12-33(34(29)32)38-22-31-20-28(16-14-24(3)4)18-26(6)36(31)40/h7-12,17-24,39-40H,13-16H2,1-6H3/b37-21-,38-22+
• InChIKey: DLPHXBWBZGDULJ-NSQVWVJGSA-N
• XLogP: 9.55
• TPSA: 65.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.74
LogP ≤ 5	9.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[8-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol?

The IUPAC name of 2-[[8-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol (CID 137156887) is 2-[[8-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol.

What is the SMILES notation for 2-[[8-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol?

The canonical SMILES for 2-[[8-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol is Cc1cc(CCC(C)C)cc(/C=N\c2cccc3cccc(/N=C/c4cc(CCC(C)C)cc(C)c4O)c23)c1O.

What is the InChIKey of 2-[[8-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol?

The InChIKey is DLPHXBWBZGDULJ-NSQVWVJGSA-N. The full InChI is InChI=1S/C36H42N2O2/c1-23(2)13-15-27-17-25(5)35(39)30(19-27)21-37-32-11-7-9-29-10-8-12-33(34(29)32)38-22-31-20-28(16-14-24(3)4)18-26(6)36(31)40/h7-12,17-24,39-40H,13-16H2,1-6H3/b37-21-,38-22+.

What are the key properties of 2-[[8-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol?

2-[[8-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol has a molecular weight of 534.74 g/mol, XLogP of 9.55, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[8-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol is sourced from PubChem (CID 137156887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).