2-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]-1,3-benzothiazole

C35H24N2S — CID 10951249

IUPAC2-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]-1,3-benzothiazole
SMILESC(=C/c1ccc(-n2c3ccccc3c3ccccc32)cc1)\c1ccc(/C=C/c2nc3ccccc3s2)cc1
InChIInChI=1S/C35H24N2S/c1-4-10-32-29(7-1)30-8-2-5-11-33(30)37(32)28-22-19-27(20-23-28)18-15-25-13-16-26(17-14-25)21-24-35-36-31-9-3-6-12-34(31)38-35/h1-24H/b18-15+,24-21+
InChIKeyGBXPKLYRPCOARM-VDTOUARZSA-N
MW504.66 g/mol
LogP9.73
Rot. Bonds5

About 2-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]-1,3-benzothiazole

2-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]-1,3-benzothiazole (PubChem CID 10951249) has the molecular formula C35H24N2S and a molecular weight of 504.66 g/mol. Its IUPAC name is 2-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]-1,3-benzothiazole
PubChem CID10951249
Molecular FormulaC35H24N2S
Molecular Weight504.66 g/mol
Exact Mass504.17
IUPAC Name2-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]-1,3-benzothiazole
SMILESC(=C/c1ccc(-n2c3ccccc3c3ccccc32)cc1)\c1ccc(/C=C/c2nc3ccccc3s2)cc1
InChIInChI=1S/C35H24N2S/c1-4-10-32-29(7-1)30-8-2-5-11-33(30)37(32)28-22-19-27(20-23-28)18-15-25-13-16-26(17-14-25)21-24-35-36-31-9-3-6-12-34(31)38-35/h1-24H/b18-15+,24-21+
InChIKeyGBXPKLYRPCOARM-VDTOUARZSA-N
XLogP9.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.66
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]-1,3-benzothiazole?
The IUPAC name of 2-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]-1,3-benzothiazole (CID 10951249) is 2-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]-1,3-benzothiazole is C(=C/c1ccc(-n2c3ccccc3c3ccccc32)cc1)\c1ccc(/C=C/c2nc3ccccc3s2)cc1.
What is the InChIKey of 2-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]-1,3-benzothiazole?
The InChIKey is GBXPKLYRPCOARM-VDTOUARZSA-N. The full InChI is InChI=1S/C35H24N2S/c1-4-10-32-29(7-1)30-8-2-5-11-33(30)37(32)28-22-19-27(20-23-28)18-15-25-13-16-26(17-14-25)21-24-35-36-31-9-3-6-12-34(31)38-35/h1-24H/b18-15+,24-21+.
What are the key properties of 2-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]-1,3-benzothiazole?
2-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]-1,3-benzothiazole has a molecular weight of 504.66 g/mol, XLogP of 9.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]-1,3-benzothiazole is sourced from PubChem (CID 10951249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).