N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine

C39H39N3 — CID 23567899

About N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine

N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine (PubChem CID 23567899) has the molecular formula C39H39N3 and a molecular weight of 549.76 g/mol. Its IUPAC name is N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine.

Molecular Properties

• Compound Name: N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
• PubChem CID: 23567899
• Molecular Formula: C39H39N3
• Molecular Weight: 549.76 g/mol
• Exact Mass: 549.31
• IUPAC Name: N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
• SMILES: C/C(=N\c1c(-c2ccccc2)cccc1-c1ccccc1)c1cccc(/C(C)=N/c2c(C(C)C)cccc2C(C)C)n1
• InChI: InChI=1S/C39H39N3/c1-26(2)32-20-13-21-33(27(3)4)38(32)40-28(5)36-24-15-25-37(42-36)29(6)41-39-34(30-16-9-7-10-17-30)22-14-23-35(39)31-18-11-8-12-19-31/h7-27H,1-6H3/b40-28+,41-29+
• InChIKey: FZOWDCPBABBGGL-ICKILNQYSA-N
• XLogP: 10.94
• TPSA: 37.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.76
LogP ≤ 5	10.94
H-Bond Donors ≤ 5	0
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 N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?

The IUPAC name of N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine (CID 23567899) is N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine.

What is the SMILES notation for N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?

The canonical SMILES for N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine is C/C(=N\c1c(-c2ccccc2)cccc1-c1ccccc1)c1cccc(/C(C)=N/c2c(C(C)C)cccc2C(C)C)n1.

What is the InChIKey of N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?

The InChIKey is FZOWDCPBABBGGL-ICKILNQYSA-N. The full InChI is InChI=1S/C39H39N3/c1-26(2)32-20-13-21-33(27(3)4)38(32)40-28(5)36-24-15-25-37(42-36)29(6)41-39-34(30-16-9-7-10-17-30)22-14-23-35(39)31-18-11-8-12-19-31/h7-27H,1-6H3/b40-28+,41-29+.

What are the key properties of N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?

N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine has a molecular weight of 549.76 g/mol, XLogP of 10.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-diphenylphenyl)-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine is sourced from PubChem (CID 23567899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).