N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide

C₂₃H₂₂N₂ — CID 144868952

About N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide

N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide (PubChem CID 144868952) has the molecular formula C₂₃H₂₂N₂ and a molecular weight of 326.44 g/mol. Its IUPAC name is N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide.

Molecular Properties

• Compound Name: N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide
• PubChem CID: 144868952
• Molecular Formula: C₂₃H₂₂N₂
• Molecular Weight: 326.44 g/mol
• Exact Mass: 326.18
• IUPAC Name: N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide
• SMILES: C/C(N)=N\C=C/Cc1cccc(-c2ccc(-c3ccccc3)cc2)c1
• InChI: InChI=1S/C23H22N2/c1-18(24)25-16-6-8-19-7-5-11-23(17-19)22-14-12-21(13-15-22)20-9-3-2-4-10-20/h2-7,9-17H,8H2,1H3,(H2,24,25)/b16-6-
• InChIKey: YQKDAQJTLISKPD-SOFYXZRVSA-N
• XLogP: 5.45
• TPSA: 38.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	326.44
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide?

The IUPAC name of N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide (CID 144868952) is N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide.

What is the SMILES notation for N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide?

The canonical SMILES for N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide is C/C(N)=N\C=C/Cc1cccc(-c2ccc(-c3ccccc3)cc2)c1.

What is the InChIKey of N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide?

The InChIKey is YQKDAQJTLISKPD-SOFYXZRVSA-N. The full InChI is InChI=1S/C23H22N2/c1-18(24)25-16-6-8-19-7-5-11-23(17-19)22-14-12-21(13-15-22)20-9-3-2-4-10-20/h2-7,9-17H,8H2,1H3,(H2,24,25)/b16-6-.

What are the key properties of N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide?

N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide has a molecular weight of 326.44 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[(Z)-3-[3-(4-phenylphenyl)phenyl]prop-1-enyl]ethanimidamide is sourced from PubChem (CID 144868952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 144868952 — identifiers, structure, computed properties (public domain)

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