2-(2-benzo[e][1,3]benzothiazol-2-ylethenyl)benzo[g][1,3]benzothiazole

C24H14N2S2 — CID 58659825

IUPAC2-(2-benzo[e][1,3]benzothiazol-2-ylethenyl)benzo[g][1,3]benzothiazole
SMILESC(=Cc1nc2ccc3ccccc3c2s1)c1nc2c(ccc3ccccc32)s1
InChIInChI=1S/C24H14N2S2/c1-3-7-17-15(5-1)10-12-20-23(17)26-22(27-20)14-13-21-25-19-11-9-16-6-2-4-8-18(16)24(19)28-21/h1-14H
InChIKeyHXJAGCMMYBFNIP-UHFFFAOYSA-N
MW394.52 g/mol
LogP7.38
Rot. Bonds2

About 2-(2-benzo[e][1,3]benzothiazol-2-ylethenyl)benzo[g][1,3]benzothiazole

2-(2-benzo[e][1,3]benzothiazol-2-ylethenyl)benzo[g][1,3]benzothiazole (PubChem CID 58659825) has the molecular formula C24H14N2S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(2-benzo[e][1,3]benzothiazol-2-ylethenyl)benzo[g][1,3]benzothiazole.

Molecular Properties

Compound Name2-(2-benzo[e][1,3]benzothiazol-2-ylethenyl)benzo[g][1,3]benzothiazole
PubChem CID58659825
Molecular FormulaC24H14N2S2
Molecular Weight394.52 g/mol
Exact Mass394.06
IUPAC Name2-(2-benzo[e][1,3]benzothiazol-2-ylethenyl)benzo[g][1,3]benzothiazole
SMILESC(=Cc1nc2ccc3ccccc3c2s1)c1nc2c(ccc3ccccc32)s1
InChIInChI=1S/C24H14N2S2/c1-3-7-17-15(5-1)10-12-20-23(17)26-22(27-20)14-13-21-25-19-11-9-16-6-2-4-8-18(16)24(19)28-21/h1-14H
InChIKeyHXJAGCMMYBFNIP-UHFFFAOYSA-N
XLogP7.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,6-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole
CID 3969786
2-[(Z)-2-(4-methoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole
CID 92933975
2-[(E)-2-(3,4-dichlorophenyl)ethenyl]benzo[e][1,3]benzothiazole
CID 7966822
2-[2-(4-phenoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole
CID 4238915
4-(2-benzo[g][1,3]benzothiazol-2-ylethenyl)-N,N-dimethylaniline
CID 3551243
4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]-2,6-dimethylphenol
CID 135591315
2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzo[e][1,3]benzothiazole
CID 7966840
2-[2-[4-(difluoromethoxy)phenyl]ethenyl]benzo[e][1,3]benzothiazole
CID 3940763
4-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]-2,6-dimethoxyphenol
CID 135593938
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]benzo[e][1,3]benzothiazole
CID 3403870
2-[2-(9-ethylcarbazol-3-yl)ethenyl]benzo[g][1,3]benzothiazole
CID 4106372
2-[2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]benzo[e][1,3]benzothiazole
CID 4848954

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzo[e][1,3]benzothiazol-2-ylethenyl)benzo[g][1,3]benzothiazole?
The IUPAC name of 2-(2-benzo[e][1,3]benzothiazol-2-ylethenyl)benzo[g][1,3]benzothiazole (CID 58659825) is 2-(2-benzo[e][1,3]benzothiazol-2-ylethenyl)benzo[g][1,3]benzothiazole.
What is the SMILES notation for 2-(2-benzo[e][1,3]benzothiazol-2-ylethenyl)benzo[g][1,3]benzothiazole?
The canonical SMILES for 2-(2-benzo[e][1,3]benzothiazol-2-ylethenyl)benzo[g][1,3]benzothiazole is C(=Cc1nc2ccc3ccccc3c2s1)c1nc2c(ccc3ccccc32)s1.
What is the InChIKey of 2-(2-benzo[e][1,3]benzothiazol-2-ylethenyl)benzo[g][1,3]benzothiazole?
The InChIKey is HXJAGCMMYBFNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N2S2/c1-3-7-17-15(5-1)10-12-20-23(17)26-22(27-20)14-13-21-25-19-11-9-16-6-2-4-8-18(16)24(19)28-21/h1-14H.
What are the key properties of 2-(2-benzo[e][1,3]benzothiazol-2-ylethenyl)benzo[g][1,3]benzothiazole?
2-(2-benzo[e][1,3]benzothiazol-2-ylethenyl)benzo[g][1,3]benzothiazole has a molecular weight of 394.52 g/mol, XLogP of 7.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzo[e][1,3]benzothiazol-2-ylethenyl)benzo[g][1,3]benzothiazole is sourced from PubChem (CID 58659825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).