3-(3-bromoprop-1-enyl)-9-ethylcarbazole

C17H16BrN — CID 79324160

IUPAC3-(3-bromoprop-1-enyl)-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cc(C=CCBr)ccc21
InChIInChI=1S/C17H16BrN/c1-2-19-16-8-4-3-7-14(16)15-12-13(6-5-11-18)9-10-17(15)19/h3-10,12H,2,11H2,1H3
InChIKeyFMKCGVCZWZQKJZ-UHFFFAOYSA-N
MW314.23 g/mol
LogP5.22
Rot. Bonds3

About 3-(3-bromoprop-1-enyl)-9-ethylcarbazole

3-(3-bromoprop-1-enyl)-9-ethylcarbazole (PubChem CID 79324160) has the molecular formula C17H16BrN and a molecular weight of 314.23 g/mol. Its IUPAC name is 3-(3-bromoprop-1-enyl)-9-ethylcarbazole.

Molecular Properties

Compound Name3-(3-bromoprop-1-enyl)-9-ethylcarbazole
PubChem CID79324160
Molecular FormulaC17H16BrN
Molecular Weight314.23 g/mol
Exact Mass313.05
IUPAC Name3-(3-bromoprop-1-enyl)-9-ethylcarbazole
SMILESCCn1c2ccccc2c2cc(C=CCBr)ccc21
InChIInChI=1S/C17H16BrN/c1-2-19-16-8-4-3-7-14(16)15-12-13(6-5-11-18)9-10-17(15)19/h3-10,12H,2,11H2,1H3
InChIKeyFMKCGVCZWZQKJZ-UHFFFAOYSA-N
XLogP5.22
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.23
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-ethyl-3-[2-[4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]carbazole
CID 71403116
9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide
CID 171700207
9-ethyl-3-[(E)-2-thiophen-2-ylethenyl]carbazole
CID 139207175
(3E)-4-(9-ethylcarbazol-3-yl)buta-1,3-diene-1,1,2-tricarbonitrile
CID 171377802
4-[(1E,6E)-7-(9-ethylcarbazol-3-yl)hepta-1,6-dienyl]-2-methoxyphenol
CID 141206117
1-(2-aminophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one
CID 71372095
(E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 55394225
9-ethyl-3-[(E)-2-[6-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-3-pyridinyl]ethenyl]carbazole
CID 126628470
1-(9-ethylcarbazol-3-yl)-N-hydroxyprop-1-en-2-amine oxide
CID 163181667
2-[2-(9-ethylcarbazol-3-yl)ethenyl]benzo[g][1,3]benzothiazole
CID 4106372
2-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]quinolin-8-ol
CID 102159828
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

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromoprop-1-enyl)-9-ethylcarbazole?
The IUPAC name of 3-(3-bromoprop-1-enyl)-9-ethylcarbazole (CID 79324160) is 3-(3-bromoprop-1-enyl)-9-ethylcarbazole.
What is the SMILES notation for 3-(3-bromoprop-1-enyl)-9-ethylcarbazole?
The canonical SMILES for 3-(3-bromoprop-1-enyl)-9-ethylcarbazole is CCn1c2ccccc2c2cc(C=CCBr)ccc21.
What is the InChIKey of 3-(3-bromoprop-1-enyl)-9-ethylcarbazole?
The InChIKey is FMKCGVCZWZQKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN/c1-2-19-16-8-4-3-7-14(16)15-12-13(6-5-11-18)9-10-17(15)19/h3-10,12H,2,11H2,1H3.
What are the key properties of 3-(3-bromoprop-1-enyl)-9-ethylcarbazole?
3-(3-bromoprop-1-enyl)-9-ethylcarbazole has a molecular weight of 314.23 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromoprop-1-enyl)-9-ethylcarbazole is sourced from PubChem (CID 79324160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).