N-(3,5-ditert-butylphenyl)-1-[4-[(3,5-ditert-butylphenyl)iminomethyl]phenyl]methanimine

C36H48N2 — CID 132601472

IUPACN-(3,5-ditert-butylphenyl)-1-[4-[(3,5-ditert-butylphenyl)iminomethyl]phenyl]methanimine
SMILESCC(C)(C)c1cc(/N=C/c2ccc(/C=N/c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)cc(C(C)(C)C)c1
InChIInChI=1S/C36H48N2/c1-33(2,3)27-17-28(34(4,5)6)20-31(19-27)37-23-25-13-15-26(16-14-25)24-38-32-21-29(35(7,8)9)18-30(22-32)36(10,11)12/h13-24H,1-12H3/b37-23+,38-24+
InChIKeyKCKSQMLTRKFKBH-DNJOOXRZSA-N
MW508.79 g/mol
LogP10.38
Rot. Bonds4

About N-(3,5-ditert-butylphenyl)-1-[4-[(3,5-ditert-butylphenyl)iminomethyl]phenyl]methanimine

N-(3,5-ditert-butylphenyl)-1-[4-[(3,5-ditert-butylphenyl)iminomethyl]phenyl]methanimine (PubChem CID 132601472) has the molecular formula C36H48N2 and a molecular weight of 508.79 g/mol. Its IUPAC name is N-(3,5-ditert-butylphenyl)-1-[4-[(3,5-ditert-butylphenyl)iminomethyl]phenyl]methanimine.

Molecular Properties

Compound NameN-(3,5-ditert-butylphenyl)-1-[4-[(3,5-ditert-butylphenyl)iminomethyl]phenyl]methanimine
PubChem CID132601472
Molecular FormulaC36H48N2
Molecular Weight508.79 g/mol
Exact Mass508.38
IUPAC NameN-(3,5-ditert-butylphenyl)-1-[4-[(3,5-ditert-butylphenyl)iminomethyl]phenyl]methanimine
SMILESCC(C)(C)c1cc(/N=C/c2ccc(/C=N/c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)cc(C(C)(C)C)c1
InChIInChI=1S/C36H48N2/c1-33(2,3)27-17-28(34(4,5)6)20-31(19-27)37-23-25-13-15-26(16-14-25)24-38-32-21-29(35(7,8)9)18-30(22-32)36(10,11)12/h13-24H,1-12H3/b37-23+,38-24+
InChIKeyKCKSQMLTRKFKBH-DNJOOXRZSA-N
XLogP10.38
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.79
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,5-ditert-butylphenyl)-1-[4-[(3,5-ditert-butylphenyl)iminomethyl]phenyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,5-ditert-butylphenyl)-1-[4-[(3,5-ditert-butylphenyl)iminomethyl]phenyl]methanimine?
The IUPAC name of N-(3,5-ditert-butylphenyl)-1-[4-[(3,5-ditert-butylphenyl)iminomethyl]phenyl]methanimine (CID 132601472) is N-(3,5-ditert-butylphenyl)-1-[4-[(3,5-ditert-butylphenyl)iminomethyl]phenyl]methanimine.
What is the SMILES notation for N-(3,5-ditert-butylphenyl)-1-[4-[(3,5-ditert-butylphenyl)iminomethyl]phenyl]methanimine?
The canonical SMILES for N-(3,5-ditert-butylphenyl)-1-[4-[(3,5-ditert-butylphenyl)iminomethyl]phenyl]methanimine is CC(C)(C)c1cc(/N=C/c2ccc(/C=N/c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)cc(C(C)(C)C)c1.
What is the InChIKey of N-(3,5-ditert-butylphenyl)-1-[4-[(3,5-ditert-butylphenyl)iminomethyl]phenyl]methanimine?
The InChIKey is KCKSQMLTRKFKBH-DNJOOXRZSA-N. The full InChI is InChI=1S/C36H48N2/c1-33(2,3)27-17-28(34(4,5)6)20-31(19-27)37-23-25-13-15-26(16-14-25)24-38-32-21-29(35(7,8)9)18-30(22-32)36(10,11)12/h13-24H,1-12H3/b37-23+,38-24+.
What are the key properties of N-(3,5-ditert-butylphenyl)-1-[4-[(3,5-ditert-butylphenyl)iminomethyl]phenyl]methanimine?
N-(3,5-ditert-butylphenyl)-1-[4-[(3,5-ditert-butylphenyl)iminomethyl]phenyl]methanimine has a molecular weight of 508.79 g/mol, XLogP of 10.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-ditert-butylphenyl)-1-[4-[(3,5-ditert-butylphenyl)iminomethyl]phenyl]methanimine is sourced from PubChem (CID 132601472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).