triethyl-[2-[4-(2-naphthalen-1-ylethenyl)phenoxy]ethyl]azanium

C26H32NO+ — CID 176732152

IUPACtriethyl-[2-[4-(2-naphthalen-1-ylethenyl)phenoxy]ethyl]azanium
SMILESCC[N+](CC)(CC)CCOc1ccc(C=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C26H32NO/c1-4-27(5-2,6-3)20-21-28-25-18-15-22(16-19-25)14-17-24-12-9-11-23-10-7-8-13-26(23)24/h7-19H,4-6,20-21H2,1-3H3/q+1
InChIKeyXDWBHTKRMNRBQE-UHFFFAOYSA-N
MW374.55 g/mol
LogP6.27
Rot. Bonds9

About triethyl-[2-[4-(2-naphthalen-1-ylethenyl)phenoxy]ethyl]azanium

triethyl-[2-[4-(2-naphthalen-1-ylethenyl)phenoxy]ethyl]azanium (PubChem CID 176732152) has the molecular formula C26H32NO+ and a molecular weight of 374.55 g/mol. Its IUPAC name is triethyl-[2-[4-(2-naphthalen-1-ylethenyl)phenoxy]ethyl]azanium.

Molecular Properties

Compound Nametriethyl-[2-[4-(2-naphthalen-1-ylethenyl)phenoxy]ethyl]azanium
PubChem CID176732152
Molecular FormulaC26H32NO+
Molecular Weight374.55 g/mol
Exact Mass374.25
IUPAC Nametriethyl-[2-[4-(2-naphthalen-1-ylethenyl)phenoxy]ethyl]azanium
SMILESCC[N+](CC)(CC)CCOc1ccc(C=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C26H32NO/c1-4-27(5-2,6-3)20-21-28-25-18-15-22(16-19-25)14-17-24-12-9-11-23-10-7-8-13-26(23)24/h7-19H,4-6,20-21H2,1-3H3/q+1
InChIKeyXDWBHTKRMNRBQE-UHFFFAOYSA-N
XLogP6.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.55
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[2-[4-(2-naphthalen-1-ylethenyl)phenoxy]ethyl]azanium?
The IUPAC name of triethyl-[2-[4-(2-naphthalen-1-ylethenyl)phenoxy]ethyl]azanium (CID 176732152) is triethyl-[2-[4-(2-naphthalen-1-ylethenyl)phenoxy]ethyl]azanium.
What is the SMILES notation for triethyl-[2-[4-(2-naphthalen-1-ylethenyl)phenoxy]ethyl]azanium?
The canonical SMILES for triethyl-[2-[4-(2-naphthalen-1-ylethenyl)phenoxy]ethyl]azanium is CC[N+](CC)(CC)CCOc1ccc(C=Cc2cccc3ccccc23)cc1.
What is the InChIKey of triethyl-[2-[4-(2-naphthalen-1-ylethenyl)phenoxy]ethyl]azanium?
The InChIKey is XDWBHTKRMNRBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32NO/c1-4-27(5-2,6-3)20-21-28-25-18-15-22(16-19-25)14-17-24-12-9-11-23-10-7-8-13-26(23)24/h7-19H,4-6,20-21H2,1-3H3/q+1.
What are the key properties of triethyl-[2-[4-(2-naphthalen-1-ylethenyl)phenoxy]ethyl]azanium?
triethyl-[2-[4-(2-naphthalen-1-ylethenyl)phenoxy]ethyl]azanium has a molecular weight of 374.55 g/mol, XLogP of 6.27, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-[4-(2-naphthalen-1-ylethenyl)phenoxy]ethyl]azanium is sourced from PubChem (CID 176732152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).