9-ethyl-3-[(E)-2-thiophen-2-ylethenyl]carbazole

C40H34N2S2 — CID 139207175

IUPAC9-ethyl-3-[(E)-2-thiophen-2-ylethenyl]carbazole
SMILESCCn1c2ccccc2c2cc(/C=C/c3cccs3)ccc21.CCn1c2ccccc2c2cc(/C=C/c3cccs3)ccc21
InChIInChI=1S/2C20H17NS/c2*1-2-21-19-8-4-3-7-17(19)18-14-15(10-12-20(18)21)9-11-16-6-5-13-22-16/h2*3-14H,2H2,1H3/b2*11-9+
InChIKeyJGQCSHJJWKELNL-YBLOMHCGSA-N
MW606.86 g/mol
LogP12.09
Rot. Bonds6

About 9-ethyl-3-[(E)-2-thiophen-2-ylethenyl]carbazole

9-ethyl-3-[(E)-2-thiophen-2-ylethenyl]carbazole (PubChem CID 139207175) has the molecular formula C40H34N2S2 and a molecular weight of 606.86 g/mol. Its IUPAC name is 9-ethyl-3-[(E)-2-thiophen-2-ylethenyl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[(E)-2-thiophen-2-ylethenyl]carbazole
PubChem CID139207175
Molecular FormulaC40H34N2S2
Molecular Weight606.86 g/mol
Exact Mass606.22
IUPAC Name9-ethyl-3-[(E)-2-thiophen-2-ylethenyl]carbazole
SMILESCCn1c2ccccc2c2cc(/C=C/c3cccs3)ccc21.CCn1c2ccccc2c2cc(/C=C/c3cccs3)ccc21
InChIInChI=1S/2C20H17NS/c2*1-2-21-19-8-4-3-7-17(19)18-14-15(10-12-20(18)21)9-11-16-6-5-13-22-16/h2*3-14H,2H2,1H3/b2*11-9+
InChIKeyJGQCSHJJWKELNL-YBLOMHCGSA-N
XLogP12.09
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.86
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-ethyl-3-[2-[4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]carbazole
CID 71403116
2-chloro-1-ethyl-3-[(E)-2-thiophen-2-ylethenyl]indole
CID 10108133
3-(3-bromoprop-1-enyl)-9-ethylcarbazole
CID 79324160
9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide
CID 171700207
9-ethyl-3-[(E)-2-[6-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-3-pyridinyl]ethenyl]carbazole
CID 126628470
(3E)-4-(9-ethylcarbazol-3-yl)buta-1,3-diene-1,1,2-tricarbonitrile
CID 171377802
2-[2-(9-ethylcarbazol-3-yl)ethenyl]benzo[g][1,3]benzothiazole
CID 4106372
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
9-ethyl-6-[2-(9-heptylcarbazol-3-yl)ethenyl]carbazole-3-carbaldehyde
CID 172869489
(E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 55394225
1-(9-ethylcarbazol-3-yl)-N-hydroxyprop-1-en-2-amine oxide
CID 163181667
N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline
CID 89344655

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[(E)-2-thiophen-2-ylethenyl]carbazole?
The IUPAC name of 9-ethyl-3-[(E)-2-thiophen-2-ylethenyl]carbazole (CID 139207175) is 9-ethyl-3-[(E)-2-thiophen-2-ylethenyl]carbazole.
What is the SMILES notation for 9-ethyl-3-[(E)-2-thiophen-2-ylethenyl]carbazole?
The canonical SMILES for 9-ethyl-3-[(E)-2-thiophen-2-ylethenyl]carbazole is CCn1c2ccccc2c2cc(/C=C/c3cccs3)ccc21.CCn1c2ccccc2c2cc(/C=C/c3cccs3)ccc21.
What is the InChIKey of 9-ethyl-3-[(E)-2-thiophen-2-ylethenyl]carbazole?
The InChIKey is JGQCSHJJWKELNL-YBLOMHCGSA-N. The full InChI is InChI=1S/2C20H17NS/c2*1-2-21-19-8-4-3-7-17(19)18-14-15(10-12-20(18)21)9-11-16-6-5-13-22-16/h2*3-14H,2H2,1H3/b2*11-9+.
What are the key properties of 9-ethyl-3-[(E)-2-thiophen-2-ylethenyl]carbazole?
9-ethyl-3-[(E)-2-thiophen-2-ylethenyl]carbazole has a molecular weight of 606.86 g/mol, XLogP of 12.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[(E)-2-thiophen-2-ylethenyl]carbazole is sourced from PubChem (CID 139207175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).