[(2E,4Z)-5-(diethylamino)-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-diethylazanium

C27H37N2+ — CID 10907628

IUPAC[(2E,4Z)-5-(diethylamino)-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-diethylazanium
SMILESCCN(CC)/C(=C\C=C\C(c1ccc(C)cc1)=[N+](CC)CC)c1ccc(C)cc1
InChIInChI=1S/C27H37N2/c1-7-28(8-2)26(24-18-14-22(5)15-19-24)12-11-13-27(29(9-3)10-4)25-20-16-23(6)17-21-25/h11-21H,7-10H2,1-6H3/q+1
InChIKeyVKKCYSNOLMZXKE-UHFFFAOYSA-N
MW389.61 g/mol
LogP6.08
Rot. Bonds9

About [(2E,4Z)-5-(diethylamino)-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-diethylazanium

[(2E,4Z)-5-(diethylamino)-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-diethylazanium (PubChem CID 10907628) has the molecular formula C27H37N2+ and a molecular weight of 389.61 g/mol. Its IUPAC name is [(2E,4Z)-5-(diethylamino)-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-diethylazanium.

Molecular Properties

Compound Name[(2E,4Z)-5-(diethylamino)-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-diethylazanium
PubChem CID10907628
Molecular FormulaC27H37N2+
Molecular Weight389.61 g/mol
Exact Mass389.30
IUPAC Name[(2E,4Z)-5-(diethylamino)-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-diethylazanium
SMILESCCN(CC)/C(=C\C=C\C(c1ccc(C)cc1)=[N+](CC)CC)c1ccc(C)cc1
InChIInChI=1S/C27H37N2/c1-7-28(8-2)26(24-18-14-22(5)15-19-24)12-11-13-27(29(9-3)10-4)25-20-16-23(6)17-21-25/h11-21H,7-10H2,1-6H3/q+1
InChIKeyVKKCYSNOLMZXKE-UHFFFAOYSA-N
XLogP6.08
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.61
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-5-(diethylamino)-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-diethylazanium?
The IUPAC name of [(2E,4Z)-5-(diethylamino)-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-diethylazanium (CID 10907628) is [(2E,4Z)-5-(diethylamino)-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-diethylazanium.
What is the SMILES notation for [(2E,4Z)-5-(diethylamino)-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-diethylazanium?
The canonical SMILES for [(2E,4Z)-5-(diethylamino)-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-diethylazanium is CCN(CC)/C(=C\C=C\C(c1ccc(C)cc1)=[N+](CC)CC)c1ccc(C)cc1.
What is the InChIKey of [(2E,4Z)-5-(diethylamino)-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-diethylazanium?
The InChIKey is VKKCYSNOLMZXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N2/c1-7-28(8-2)26(24-18-14-22(5)15-19-24)12-11-13-27(29(9-3)10-4)25-20-16-23(6)17-21-25/h11-21H,7-10H2,1-6H3/q+1.
What are the key properties of [(2E,4Z)-5-(diethylamino)-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-diethylazanium?
[(2E,4Z)-5-(diethylamino)-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-diethylazanium has a molecular weight of 389.61 g/mol, XLogP of 6.08, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-5-(diethylamino)-1,5-bis(4-methylphenyl)penta-2,4-dienylidene]-diethylazanium is sourced from PubChem (CID 10907628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).