(Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine

C₂₈H₂₃Cl₂N — CID 135245561

About (Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine

(Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine (PubChem CID 135245561) has the molecular formula C₂₈H₂₃Cl₂N and a molecular weight of 444.41 g/mol. Its IUPAC name is (Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine.

Molecular Properties

• Compound Name: (Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine
• PubChem CID: 135245561
• Molecular Formula: C₂₈H₂₃Cl₂N
• Molecular Weight: 444.41 g/mol
• Exact Mass: 443.12
• IUPAC Name: (Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine
• SMILES: Clc1cc(Cl)cc(/C(=C/Cc2cccc(-c3ccccc3)c2)NCc2ccccc2)c1
• InChI: InChI=1S/C28H23Cl2N/c29-26-17-25(18-27(30)19-26)28(31-20-22-8-3-1-4-9-22)15-14-21-10-7-13-24(16-21)23-11-5-2-6-12-23/h1-13,15-19,31H,14,20H2/b28-15-
• InChIKey: ZQWKYEGKNHMTKQ-MBTHVWNTSA-N
• XLogP: 8.03
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.41
LogP ≤ 5	8.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine?

The IUPAC name of (Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine (CID 135245561) is (Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine.

What is the SMILES notation for (Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine?

The canonical SMILES for (Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine is Clc1cc(Cl)cc(/C(=C/Cc2cccc(-c3ccccc3)c2)NCc2ccccc2)c1.

What is the InChIKey of (Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine?

The InChIKey is ZQWKYEGKNHMTKQ-MBTHVWNTSA-N. The full InChI is InChI=1S/C28H23Cl2N/c29-26-17-25(18-27(30)19-26)28(31-20-22-8-3-1-4-9-22)15-14-21-10-7-13-24(16-21)23-11-5-2-6-12-23/h1-13,15-19,31H,14,20H2/b28-15-.

What are the key properties of (Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine?

(Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine has a molecular weight of 444.41 g/mol, XLogP of 8.03, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine is sourced from PubChem (CID 135245561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135245561 — identifiers, structure, computed properties (public domain)

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