N-(2-benzylphenyl)-1-[6-[N-(2-benzylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine

C35H31N3 — CID 11296517

IUPACN-(2-benzylphenyl)-1-[6-[N-(2-benzylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
SMILESC/C(=N\c1ccccc1Cc1ccccc1)c1cccc(/C(C)=N/c2ccccc2Cc2ccccc2)n1
InChIInChI=1S/C35H31N3/c1-26(36-34-20-11-9-18-30(34)24-28-14-5-3-6-15-28)32-22-13-23-33(38-32)27(2)37-35-21-12-10-19-31(35)25-29-16-7-4-8-17-29/h3-23H,24-25H2,1-2H3/b36-26+,37-27+
InChIKeyZIILLYIALZDJKU-FIGANRNSSA-N
MW493.65 g/mol
LogP8.54
Rot. Bonds8

About N-(2-benzylphenyl)-1-[6-[N-(2-benzylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine

N-(2-benzylphenyl)-1-[6-[N-(2-benzylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine (PubChem CID 11296517) has the molecular formula C35H31N3 and a molecular weight of 493.65 g/mol. Its IUPAC name is N-(2-benzylphenyl)-1-[6-[N-(2-benzylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine.

Molecular Properties

Compound NameN-(2-benzylphenyl)-1-[6-[N-(2-benzylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
PubChem CID11296517
Molecular FormulaC35H31N3
Molecular Weight493.65 g/mol
Exact Mass493.25
IUPAC NameN-(2-benzylphenyl)-1-[6-[N-(2-benzylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
SMILESC/C(=N\c1ccccc1Cc1ccccc1)c1cccc(/C(C)=N/c2ccccc2Cc2ccccc2)n1
InChIInChI=1S/C35H31N3/c1-26(36-34-20-11-9-18-30(34)24-28-14-5-3-6-15-28)32-22-13-23-33(38-32)27(2)37-35-21-12-10-19-31(35)25-29-16-7-4-8-17-29/h3-23H,24-25H2,1-2H3/b36-26+,37-27+
InChIKeyZIILLYIALZDJKU-FIGANRNSSA-N
XLogP8.54
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.65
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-1-[6-[N-(2-benzylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
The IUPAC name of N-(2-benzylphenyl)-1-[6-[N-(2-benzylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine (CID 11296517) is N-(2-benzylphenyl)-1-[6-[N-(2-benzylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine.
What is the SMILES notation for N-(2-benzylphenyl)-1-[6-[N-(2-benzylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
The canonical SMILES for N-(2-benzylphenyl)-1-[6-[N-(2-benzylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine is C/C(=N\c1ccccc1Cc1ccccc1)c1cccc(/C(C)=N/c2ccccc2Cc2ccccc2)n1.
What is the InChIKey of N-(2-benzylphenyl)-1-[6-[N-(2-benzylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
The InChIKey is ZIILLYIALZDJKU-FIGANRNSSA-N. The full InChI is InChI=1S/C35H31N3/c1-26(36-34-20-11-9-18-30(34)24-28-14-5-3-6-15-28)32-22-13-23-33(38-32)27(2)37-35-21-12-10-19-31(35)25-29-16-7-4-8-17-29/h3-23H,24-25H2,1-2H3/b36-26+,37-27+.
What are the key properties of N-(2-benzylphenyl)-1-[6-[N-(2-benzylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?
N-(2-benzylphenyl)-1-[6-[N-(2-benzylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine has a molecular weight of 493.65 g/mol, XLogP of 8.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-1-[6-[N-(2-benzylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine is sourced from PubChem (CID 11296517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).