3-[2-(1-ethoxypyridin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole

C26H29N2O3+ — CID 174674569

IUPAC3-[2-(1-ethoxypyridin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole
SMILESCCO[n+]1ccc(C=Cc2ccc3c(c2)c2ccccc2n3CCOCCOC)cc1
InChIInChI=1S/C26H29N2O3/c1-3-31-27-14-12-21(13-15-27)8-9-22-10-11-26-24(20-22)23-6-4-5-7-25(23)28(26)16-17-30-19-18-29-2/h4-15,20H,3,16-19H2,1-2H3/q+1
InChIKeyRZVWUTFMJXLMLG-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.36
Rot. Bonds10

About 3-[2-(1-ethoxypyridin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole

3-[2-(1-ethoxypyridin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole (PubChem CID 174674569) has the molecular formula C26H29N2O3+ and a molecular weight of 417.53 g/mol. Its IUPAC name is 3-[2-(1-ethoxypyridin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole.

Molecular Properties

Compound Name3-[2-(1-ethoxypyridin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole
PubChem CID174674569
Molecular FormulaC26H29N2O3+
Molecular Weight417.53 g/mol
Exact Mass417.22
IUPAC Name3-[2-(1-ethoxypyridin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole
SMILESCCO[n+]1ccc(C=Cc2ccc3c(c2)c2ccccc2n3CCOCCOC)cc1
InChIInChI=1S/C26H29N2O3/c1-3-31-27-14-12-21(13-15-27)8-9-22-10-11-26-24(20-22)23-6-4-5-7-25(23)28(26)16-17-30-19-18-29-2/h4-15,20H,3,16-19H2,1-2H3/q+1
InChIKeyRZVWUTFMJXLMLG-UHFFFAOYSA-N
XLogP4.36
TPSA36.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]carbazole
CID 162646381
ethyl 2-[4-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]acetate
CID 123759410
10-ethoxy-9-[2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]-9H-acridine;hydroiodide
CID 174674482
9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide
CID 171700207
N-[3-[diethoxy(methoxy)silyl]propyl]-2-[4-[(E)-2-[9-[2-(2-methoxyethoxy)ethyl]carbazol-3-yl]ethenyl]quinolin-1-ium-1-yl]acetamide
CID 140735460
9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-[9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]carbazol-3-yl]-N-(4-nitrophenyl)carbazol-3-amine
CID 138505633
(E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide
CID 29198621
9-[2-(4-phenylpyridin-1-ium-1-yl)oxyethyl]carbazole
CID 59705457
9-hexyl-2,7-bis[(E)-2-(9-hexylcarbazol-2-yl)ethenyl]carbazole
CID 58937439
9-ethyl-3-[2-[4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]carbazole
CID 71403116
[9-(2-ethoxyethyl)carbazol-3-yl]methanol
CID 125496237
3-iodo-9-[2-(2-methoxyethoxy)ethoxymethyl]carbazole
CID 138520058

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-ethoxypyridin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole?
The IUPAC name of 3-[2-(1-ethoxypyridin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole (CID 174674569) is 3-[2-(1-ethoxypyridin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole.
What is the SMILES notation for 3-[2-(1-ethoxypyridin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole?
The canonical SMILES for 3-[2-(1-ethoxypyridin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole is CCO[n+]1ccc(C=Cc2ccc3c(c2)c2ccccc2n3CCOCCOC)cc1.
What is the InChIKey of 3-[2-(1-ethoxypyridin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole?
The InChIKey is RZVWUTFMJXLMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N2O3/c1-3-31-27-14-12-21(13-15-27)8-9-22-10-11-26-24(20-22)23-6-4-5-7-25(23)28(26)16-17-30-19-18-29-2/h4-15,20H,3,16-19H2,1-2H3/q+1.
What are the key properties of 3-[2-(1-ethoxypyridin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole?
3-[2-(1-ethoxypyridin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole has a molecular weight of 417.53 g/mol, XLogP of 4.36, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-ethoxypyridin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole is sourced from PubChem (CID 174674569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).