9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole iodide

C26H23IN2 — CID 118736722

IUPAC9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole iodide
SMILESCCn1c2ccccc2c2cc(/C=C/c3ccc4ccccc4[n+]3C)ccc21.[I-]
InChIInChI=1S/C26H23N2.HI/c1-3-28-25-11-7-5-9-22(25)23-18-19(13-17-26(23)28)12-15-21-16-14-20-8-4-6-10-24(20)27(21)2;/h4-18H,3H2,1-2H3;1H/q+1;/p-1
InChIKeyKUOSYJBXEHCTBM-UHFFFAOYSA-M
MW490.39 g/mol
LogP2.97
Rot. Bonds3

About 9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole iodide

9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole iodide (PubChem CID 118736722) has the molecular formula C26H23IN2 and a molecular weight of 490.39 g/mol. Its IUPAC name is 9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole iodide.

Molecular Properties

Compound Name9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole iodide
PubChem CID118736722
Molecular FormulaC26H23IN2
Molecular Weight490.39 g/mol
Exact Mass490.09
IUPAC Name9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole iodide
SMILESCCn1c2ccccc2c2cc(/C=C/c3ccc4ccccc4[n+]3C)ccc21.[I-]
InChIInChI=1S/C26H23N2.HI/c1-3-28-25-11-7-5-9-22(25)23-18-19(13-17-26(23)28)12-15-21-16-14-20-8-4-6-10-24(20)27(21)2;/h4-18H,3H2,1-2H3;1H/q+1;/p-1
InChIKeyKUOSYJBXEHCTBM-UHFFFAOYSA-M
XLogP2.97
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole iodide?
The IUPAC name of 9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole iodide (CID 118736722) is 9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole iodide.
What is the SMILES notation for 9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole iodide?
The canonical SMILES for 9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole iodide is CCn1c2ccccc2c2cc(/C=C/c3ccc4ccccc4[n+]3C)ccc21.[I-].
What is the InChIKey of 9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole iodide?
The InChIKey is KUOSYJBXEHCTBM-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H23N2.HI/c1-3-28-25-11-7-5-9-22(25)23-18-19(13-17-26(23)28)12-15-21-16-14-20-8-4-6-10-24(20)27(21)2;/h4-18H,3H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole iodide?
9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole iodide has a molecular weight of 490.39 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole iodide is sourced from PubChem (CID 118736722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).