(3Z,5Z)-3-[(2E,4Z)-4,5-dichloro-2-methylhexa-2,4-dienylidene]-5-[(3,4-dichlorophenyl)methylidene]-4-methylidenepiperidine

C20H19Cl4N — CID 139448418

About (3Z,5Z)-3-[(2E,4Z)-4,5-dichloro-2-methylhexa-2,4-dienylidene]-5-[(3,4-dichlorophenyl)methylidene]-4-methylidenepiperidine

(3Z,5Z)-3-[(2E,4Z)-4,5-dichloro-2-methylhexa-2,4-dienylidene]-5-[(3,4-dichlorophenyl)methylidene]-4-methylidenepiperidine (PubChem CID 139448418) has the molecular formula C20H19Cl4N and a molecular weight of 415.19 g/mol. Its IUPAC name is (3Z,5Z)-3-[(2E,4Z)-4,5-dichloro-2-methylhexa-2,4-dienylidene]-5-[(3,4-dichlorophenyl)methylidene]-4-methylidenepiperidine.

Molecular Properties

• Compound Name: (3Z,5Z)-3-[(2E,4Z)-4,5-dichloro-2-methylhexa-2,4-dienylidene]-5-[(3,4-dichlorophenyl)methylidene]-4-methylidenepiperidine
• PubChem CID: 139448418
• Molecular Formula: C20H19Cl4N
• Molecular Weight: 415.19 g/mol
• Exact Mass: 413.03
• IUPAC Name: (3Z,5Z)-3-[(2E,4Z)-4,5-dichloro-2-methylhexa-2,4-dienylidene]-5-[(3,4-dichlorophenyl)methylidene]-4-methylidenepiperidine
• SMILES: C=C1/C(=C/C(C)=C/C(Cl)=C(\C)Cl)CNC/C1=C\c1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C20H19Cl4N/c1-12(7-19(23)14(3)21)6-16-10-25-11-17(13(16)2)8-15-4-5-18(22)20(24)9-15/h4-9,25H,2,10-11H2,1,3H3/b12-7+,16-6+,17-8+,19-14-
• InChIKey: TYVHTTXMWWARMI-UFMVRMOOSA-N
• XLogP: 7.12
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.19
LogP ≤ 5	7.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-[(2E,4Z)-4,5-dichloro-2-methylhexa-2,4-dienylidene]-5-[(3,4-dichlorophenyl)methylidene]-4-methylidenepiperidine?

The IUPAC name of (3Z,5Z)-3-[(2E,4Z)-4,5-dichloro-2-methylhexa-2,4-dienylidene]-5-[(3,4-dichlorophenyl)methylidene]-4-methylidenepiperidine (CID 139448418) is (3Z,5Z)-3-[(2E,4Z)-4,5-dichloro-2-methylhexa-2,4-dienylidene]-5-[(3,4-dichlorophenyl)methylidene]-4-methylidenepiperidine.

What is the SMILES notation for (3Z,5Z)-3-[(2E,4Z)-4,5-dichloro-2-methylhexa-2,4-dienylidene]-5-[(3,4-dichlorophenyl)methylidene]-4-methylidenepiperidine?

The canonical SMILES for (3Z,5Z)-3-[(2E,4Z)-4,5-dichloro-2-methylhexa-2,4-dienylidene]-5-[(3,4-dichlorophenyl)methylidene]-4-methylidenepiperidine is C=C1/C(=C/C(C)=C/C(Cl)=C(\C)Cl)CNC/C1=C\c1ccc(Cl)c(Cl)c1.

What is the InChIKey of (3Z,5Z)-3-[(2E,4Z)-4,5-dichloro-2-methylhexa-2,4-dienylidene]-5-[(3,4-dichlorophenyl)methylidene]-4-methylidenepiperidine?

The InChIKey is TYVHTTXMWWARMI-UFMVRMOOSA-N. The full InChI is InChI=1S/C20H19Cl4N/c1-12(7-19(23)14(3)21)6-16-10-25-11-17(13(16)2)8-15-4-5-18(22)20(24)9-15/h4-9,25H,2,10-11H2,1,3H3/b12-7+,16-6+,17-8+,19-14-.

What are the key properties of (3Z,5Z)-3-[(2E,4Z)-4,5-dichloro-2-methylhexa-2,4-dienylidene]-5-[(3,4-dichlorophenyl)methylidene]-4-methylidenepiperidine?

(3Z,5Z)-3-[(2E,4Z)-4,5-dichloro-2-methylhexa-2,4-dienylidene]-5-[(3,4-dichlorophenyl)methylidene]-4-methylidenepiperidine has a molecular weight of 415.19 g/mol, XLogP of 7.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z,5Z)-3-[(2E,4Z)-4,5-dichloro-2-methylhexa-2,4-dienylidene]-5-[(3,4-dichlorophenyl)methylidene]-4-methylidenepiperidine is sourced from PubChem (CID 139448418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).