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

C26H23N2+ — CID 71699739

IUPAC9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole
SMILESCCn1c2ccccc2c2cc(/C=C/c3ccc4ccccc4[n+]3C)ccc21
InChIInChI=1S/C26H23N2/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/q+1
InChIKeyKISPTSIXDBWEIX-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.96
Rot. Bonds3

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

9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole (PubChem CID 71699739) has the molecular formula C26H23N2+ and a molecular weight of 363.48 g/mol. Its IUPAC name is 9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole
PubChem CID71699739
Molecular FormulaC26H23N2+
Molecular Weight363.48 g/mol
Exact Mass363.19
IUPAC Name9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole
SMILESCCn1c2ccccc2c2cc(/C=C/c3ccc4ccccc4[n+]3C)ccc21
InChIInChI=1S/C26H23N2/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/q+1
InChIKeyKISPTSIXDBWEIX-UHFFFAOYSA-N
XLogP5.96
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', '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?
The IUPAC name of 9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole (CID 71699739) is 9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole.
What is the SMILES notation for 9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole?
The canonical SMILES for 9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole is CCn1c2ccccc2c2cc(/C=C/c3ccc4ccccc4[n+]3C)ccc21.
What is the InChIKey of 9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole?
The InChIKey is KISPTSIXDBWEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N2/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/q+1.
What are the key properties of 9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole?
9-ethyl-3-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]carbazole has a molecular weight of 363.48 g/mol, XLogP of 5.96, 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 is sourced from PubChem (CID 71699739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).