2-[(E)-2-nitroethenyl]dibenzothiophene

C14H9NO2S — CID 117059404

IUPAC2-[(E)-2-nitroethenyl]dibenzothiophene
SMILESO=[N+]([O-])/C=C/c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C14H9NO2S/c16-15(17)8-7-10-5-6-14-12(9-10)11-3-1-2-4-13(11)18-14/h1-9H/b8-7+
InChIKeyOPSRBVZAELHHKJ-BQYQJAHWSA-N
MW255.30 g/mol
LogP4.30
Rot. Bonds2

About 2-[(E)-2-nitroethenyl]dibenzothiophene

2-[(E)-2-nitroethenyl]dibenzothiophene (PubChem CID 117059404) has the molecular formula C14H9NO2S and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-[(E)-2-nitroethenyl]dibenzothiophene.

Molecular Properties

Compound Name2-[(E)-2-nitroethenyl]dibenzothiophene
PubChem CID117059404
Molecular FormulaC14H9NO2S
Molecular Weight255.30 g/mol
Exact Mass255.04
IUPAC Name2-[(E)-2-nitroethenyl]dibenzothiophene
SMILESO=[N+]([O-])/C=C/c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C14H9NO2S/c16-15(17)8-7-10-5-6-14-12(9-10)11-3-1-2-4-13(11)18-14/h1-9H/b8-7+
InChIKeyOPSRBVZAELHHKJ-BQYQJAHWSA-N
XLogP4.30
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-dibenzothiophen-2-ylprop-2-enal
CID 54153197
dibenzothiophene-2-carbaldehyde
CID 641360
2-[(E)-2-thiophen-3-ylethenyl]dibenzothiophene
CID 13164306
3-methyl-2-[(E)-2-nitroethenyl]-1-benzothiophene
CID 102193438
2-[(E)-2-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]ethenyl]anthracene;2-[(E)-2-[4-[(E)-2-dibenzothiophen-2-ylethenyl]phenyl]ethenyl]dibenzothiophene
CID 143526425
2-nitroethenylbenzene
CID 7626
2-(2-nitroethenyl)-1-benzothiophene
CID 66801639
2-(2-nitrophenyl)dibenzothiophene
CID 66585334
1,2-difluoro-4-(2-nitroethenyl)benzene
CID 66801984
3-(2-nitroethenyl)benzaldehyde
CID 173163142
dibenzothiophene;formaldehyde
CID 20556925
dibenzothiophene;methane
CID 162233710

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-nitroethenyl]dibenzothiophene?
The IUPAC name of 2-[(E)-2-nitroethenyl]dibenzothiophene (CID 117059404) is 2-[(E)-2-nitroethenyl]dibenzothiophene.
What is the SMILES notation for 2-[(E)-2-nitroethenyl]dibenzothiophene?
The canonical SMILES for 2-[(E)-2-nitroethenyl]dibenzothiophene is O=[N+]([O-])/C=C/c1ccc2sc3ccccc3c2c1.
What is the InChIKey of 2-[(E)-2-nitroethenyl]dibenzothiophene?
The InChIKey is OPSRBVZAELHHKJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H9NO2S/c16-15(17)8-7-10-5-6-14-12(9-10)11-3-1-2-4-13(11)18-14/h1-9H/b8-7+.
What are the key properties of 2-[(E)-2-nitroethenyl]dibenzothiophene?
2-[(E)-2-nitroethenyl]dibenzothiophene has a molecular weight of 255.30 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-nitroethenyl]dibenzothiophene is sourced from PubChem (CID 117059404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).