1-[6-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-phenylphenyl)ethanimine

C33H27N3 — CID 58927833

IUPAC1-[6-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-phenylphenyl)ethanimine
SMILESC/C(=N\c1ccccc1-c1ccccc1)c1cccc(/C(C)=N/c2ccccc2-c2ccccc2)n1
InChIInChI=1S/C33H27N3/c1-24(34-32-20-11-9-18-28(32)26-14-5-3-6-15-26)30-22-13-23-31(36-30)25(2)35-33-21-12-10-19-29(33)27-16-7-4-8-17-27/h3-23H,1-2H3/b34-24+,35-25+
InChIKeyLBMNXKGQJUGBGM-DNHJVCTKSA-N
MW465.60 g/mol
LogP8.70
Rot. Bonds6

About 1-[6-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-phenylphenyl)ethanimine

1-[6-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-phenylphenyl)ethanimine (PubChem CID 58927833) has the molecular formula C33H27N3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 1-[6-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-phenylphenyl)ethanimine.

Molecular Properties

Compound Name1-[6-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-phenylphenyl)ethanimine
PubChem CID58927833
Molecular FormulaC33H27N3
Molecular Weight465.60 g/mol
Exact Mass465.22
IUPAC Name1-[6-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-phenylphenyl)ethanimine
SMILESC/C(=N\c1ccccc1-c1ccccc1)c1cccc(/C(C)=N/c2ccccc2-c2ccccc2)n1
InChIInChI=1S/C33H27N3/c1-24(34-32-20-11-9-18-28(32)26-14-5-3-6-15-26)30-22-13-23-31(36-30)25(2)35-33-21-12-10-19-29(33)27-16-7-4-8-17-27/h3-23H,1-2H3/b34-24+,35-25+
InChIKeyLBMNXKGQJUGBGM-DNHJVCTKSA-N
XLogP8.70
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[6-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-phenylphenyl)ethanimine with MolForge

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

Launch Full Analysis

Related Compounds

N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 23567899
1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2-phenylphenyl)ethanimine
CID 20701787
iron(2+);1-[6-(C-methyl-N-naphthalen-1-ylcarbonimidoyl)-2-pyridinyl]-N-naphthalen-1-ylethanimine;dichloride
CID 22482894
1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine
CID 177189173
N-(2-tert-butylphenyl)-1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;carbanide;iron(2+)
CID 59100369
1-(3-methylphenyl)-N-(2-phenylphenyl)ethanimine
CID 101171806
1-[6-[N-(2-tert-butylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-phenylethanimine;dichlorocobalt
CID 140748189
cobalt;N-(2-ethylphenyl)-1-[6-[N-(2-ethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dihydrobromide
CID 175255082
2-N,3-N-bis(2-phenylphenyl)butane-2,3-diimine;dichloronickel
CID 140654018
iron;1-[6-[C-methyl-N-[2-(trifluoromethyl)phenyl]carbonimidoyl]-2-pyridinyl]-N-[2-(trifluoromethyl)phenyl]ethanimine;hydrochloride
CID 89388306
6-(C-methyl-N-phenylcarbonimidoyl)pyridine-2-carboxylic acid
CID 118860122
dichloroiron;1-[6-[C-methyl-N-[2-methyl-3-(5-methylthiophen-2-yl)phenyl]carbonimidoyl]-2-pyridinyl]-N-[2-methyl-3-(5-methylthiophen-2-yl)phenyl]ethanimine
CID 143465440

Frequently Asked Questions

What is the IUPAC name of 1-[6-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-phenylphenyl)ethanimine?
The IUPAC name of 1-[6-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-phenylphenyl)ethanimine (CID 58927833) is 1-[6-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-phenylphenyl)ethanimine.
What is the SMILES notation for 1-[6-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-phenylphenyl)ethanimine?
The canonical SMILES for 1-[6-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-phenylphenyl)ethanimine is C/C(=N\c1ccccc1-c1ccccc1)c1cccc(/C(C)=N/c2ccccc2-c2ccccc2)n1.
What is the InChIKey of 1-[6-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-phenylphenyl)ethanimine?
The InChIKey is LBMNXKGQJUGBGM-DNHJVCTKSA-N. The full InChI is InChI=1S/C33H27N3/c1-24(34-32-20-11-9-18-28(32)26-14-5-3-6-15-26)30-22-13-23-31(36-30)25(2)35-33-21-12-10-19-29(33)27-16-7-4-8-17-27/h3-23H,1-2H3/b34-24+,35-25+.
What are the key properties of 1-[6-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-phenylphenyl)ethanimine?
1-[6-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-phenylphenyl)ethanimine has a molecular weight of 465.60 g/mol, XLogP of 8.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-phenylphenyl)ethanimine is sourced from PubChem (CID 58927833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).