9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide

C22H21IN2 — CID 171700207

IUPAC9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide
SMILESCCn1c2ccccc2c2cc(/C=C/c3cc[n+](C)cc3)ccc21.[I-]
InChIInChI=1S/C22H21N2.HI/c1-3-24-21-7-5-4-6-19(21)20-16-18(10-11-22(20)24)9-8-17-12-14-23(2)15-13-17;/h4-16H,3H2,1-2H3;1H/q+1;/p-1
InChIKeyXWJCMLOCQOEOFD-UHFFFAOYSA-M
MW440.33 g/mol
LogP1.81
Rot. Bonds3

About 9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide

9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide (PubChem CID 171700207) has the molecular formula C22H21IN2 and a molecular weight of 440.33 g/mol. Its IUPAC name is 9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide.

Molecular Properties

Compound Name9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide
PubChem CID171700207
Molecular FormulaC22H21IN2
Molecular Weight440.33 g/mol
Exact Mass440.07
IUPAC Name9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide
SMILESCCn1c2ccccc2c2cc(/C=C/c3cc[n+](C)cc3)ccc21.[I-]
InChIInChI=1S/C22H21N2.HI/c1-3-24-21-7-5-4-6-19(21)20-16-18(10-11-22(20)24)9-8-17-12-14-23(2)15-13-17;/h4-16H,3H2,1-2H3;1H/q+1;/p-1
InChIKeyXWJCMLOCQOEOFD-UHFFFAOYSA-M
XLogP1.81
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.33
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-ethyl-3-[2-[4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]carbazole
CID 71403116
tetrakis(9-[(1-methylpiperidin-1-ium-1-yl)methyl]-3,6-bis[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole);dodecaiodide
CID 160661363
3-(3-bromoprop-1-enyl)-9-ethylcarbazole
CID 79324160
9-ethyl-3-[(E)-2-thiophen-2-ylethenyl]carbazole
CID 139207175
9-ethyl-3-[(E)-2-[6-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-3-pyridinyl]ethenyl]carbazole
CID 126628470
1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole
CID 161385391
4-[2-[2-(9-ethylcarbazol-3-yl)ethenyl]-1-methylquinolin-1-ium-4-yl]morpholine
CID 176732062
(3E)-4-(9-ethylcarbazol-3-yl)buta-1,3-diene-1,1,2-tricarbonitrile
CID 171377802
1-ethyl-2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzimidazole
CID 6489920
2-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium
CID 118403597
9-ethyl-6-[2-(9-heptylcarbazol-3-yl)ethenyl]carbazole-3-carbaldehyde
CID 172869489
3-[2-(1-ethoxypyridin-1-ium-4-yl)ethenyl]-9-[2-(2-methoxyethoxy)ethyl]carbazole
CID 174674569

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide?
The IUPAC name of 9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide (CID 171700207) is 9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide.
What is the SMILES notation for 9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide?
The canonical SMILES for 9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide is CCn1c2ccccc2c2cc(/C=C/c3cc[n+](C)cc3)ccc21.[I-].
What is the InChIKey of 9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide?
The InChIKey is XWJCMLOCQOEOFD-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H21N2.HI/c1-3-24-21-7-5-4-6-19(21)20-16-18(10-11-22(20)24)9-8-17-12-14-23(2)15-13-17;/h4-16H,3H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide?
9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide has a molecular weight of 440.33 g/mol, XLogP of 1.81, 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-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide is sourced from PubChem (CID 171700207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).