2-[2-(9-ethylcarbazol-3-yl)ethenyl]benzo[g][1,3]benzothiazole

C27H20N2S — CID 4106372

IUPAC2-[2-(9-ethylcarbazol-3-yl)ethenyl]benzo[g][1,3]benzothiazole
SMILESCCn1c2ccccc2c2cc(C=Cc3nc4ccc5ccccc5c4s3)ccc21
InChIInChI=1S/C27H20N2S/c1-2-29-24-10-6-5-9-21(24)22-17-18(11-15-25(22)29)12-16-26-28-23-14-13-19-7-3-4-8-20(19)27(23)30-26/h3-17H,2H2,1H3
InChIKeyDPDNPEZRBGZLBC-UHFFFAOYSA-N
MW404.54 g/mol
LogP7.75
Rot. Bonds3

About 2-[2-(9-ethylcarbazol-3-yl)ethenyl]benzo[g][1,3]benzothiazole

2-[2-(9-ethylcarbazol-3-yl)ethenyl]benzo[g][1,3]benzothiazole (PubChem CID 4106372) has the molecular formula C27H20N2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 2-[2-(9-ethylcarbazol-3-yl)ethenyl]benzo[g][1,3]benzothiazole.

Molecular Properties

Compound Name2-[2-(9-ethylcarbazol-3-yl)ethenyl]benzo[g][1,3]benzothiazole
PubChem CID4106372
Molecular FormulaC27H20N2S
Molecular Weight404.54 g/mol
Exact Mass404.13
IUPAC Name2-[2-(9-ethylcarbazol-3-yl)ethenyl]benzo[g][1,3]benzothiazole
SMILESCCn1c2ccccc2c2cc(C=Cc3nc4ccc5ccccc5c4s3)ccc21
InChIInChI=1S/C27H20N2S/c1-2-29-24-10-6-5-9-21(24)22-17-18(11-15-25(22)29)12-16-26-28-23-14-13-19-7-3-4-8-20(19)27(23)30-26/h3-17H,2H2,1H3
InChIKeyDPDNPEZRBGZLBC-UHFFFAOYSA-N
XLogP7.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(9-ethylcarbazol-3-yl)ethenyl]benzo[g][1,3]benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-benzo[g][1,3]benzothiazol-2-ylethenyl)-N,N-dimethylaniline
CID 3551243
9-ethyl-3-[2-[4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]carbazole
CID 71403116
3-(3-bromoprop-1-enyl)-9-ethylcarbazole
CID 79324160
2-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]quinolin-8-ol
CID 102159828
9-ethyl-3-[(E)-2-thiophen-2-ylethenyl]carbazole
CID 139207175
2-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-1,1,3-trimethylbenzo[e]indol-3-ium
CID 118403597
9-ethyl-3-[(E)-2-[6-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]-3-pyridinyl]ethenyl]carbazole
CID 126628470
9-ethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]carbazole iodide
CID 171700207
2-(2-benzo[e][1,3]benzothiazol-2-ylethenyl)benzo[g][1,3]benzothiazole
CID 58659825
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
1-(9-ethylcarbazol-3-yl)-N-hydroxyprop-1-en-2-amine oxide
CID 163181667
1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine
CID 781157

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9-ethylcarbazol-3-yl)ethenyl]benzo[g][1,3]benzothiazole?
The IUPAC name of 2-[2-(9-ethylcarbazol-3-yl)ethenyl]benzo[g][1,3]benzothiazole (CID 4106372) is 2-[2-(9-ethylcarbazol-3-yl)ethenyl]benzo[g][1,3]benzothiazole.
What is the SMILES notation for 2-[2-(9-ethylcarbazol-3-yl)ethenyl]benzo[g][1,3]benzothiazole?
The canonical SMILES for 2-[2-(9-ethylcarbazol-3-yl)ethenyl]benzo[g][1,3]benzothiazole is CCn1c2ccccc2c2cc(C=Cc3nc4ccc5ccccc5c4s3)ccc21.
What is the InChIKey of 2-[2-(9-ethylcarbazol-3-yl)ethenyl]benzo[g][1,3]benzothiazole?
The InChIKey is DPDNPEZRBGZLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2S/c1-2-29-24-10-6-5-9-21(24)22-17-18(11-15-25(22)29)12-16-26-28-23-14-13-19-7-3-4-8-20(19)27(23)30-26/h3-17H,2H2,1H3.
What are the key properties of 2-[2-(9-ethylcarbazol-3-yl)ethenyl]benzo[g][1,3]benzothiazole?
2-[2-(9-ethylcarbazol-3-yl)ethenyl]benzo[g][1,3]benzothiazole has a molecular weight of 404.54 g/mol, XLogP of 7.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9-ethylcarbazol-3-yl)ethenyl]benzo[g][1,3]benzothiazole is sourced from PubChem (CID 4106372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).