2-[(E)-2-thiophen-3-ylethenyl]dibenzothiophene

C18H12S2 — CID 13164306

IUPAC2-[(E)-2-thiophen-3-ylethenyl]dibenzothiophene
SMILESC(=C/c1ccc2sc3ccccc3c2c1)\c1ccsc1
InChIInChI=1S/C18H12S2/c1-2-4-17-15(3-1)16-11-13(7-8-18(16)20-17)5-6-14-9-10-19-12-14/h1-12H/b6-5+
InChIKeyOXTBZECROVECDF-AATRIKPKSA-N
MW292.43 g/mol
LogP6.29
Rot. Bonds2

About 2-[(E)-2-thiophen-3-ylethenyl]dibenzothiophene

2-[(E)-2-thiophen-3-ylethenyl]dibenzothiophene (PubChem CID 13164306) has the molecular formula C18H12S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[(E)-2-thiophen-3-ylethenyl]dibenzothiophene.

Molecular Properties

Compound Name2-[(E)-2-thiophen-3-ylethenyl]dibenzothiophene
PubChem CID13164306
Molecular FormulaC18H12S2
Molecular Weight292.43 g/mol
Exact Mass292.04
IUPAC Name2-[(E)-2-thiophen-3-ylethenyl]dibenzothiophene
SMILESC(=C/c1ccc2sc3ccccc3c2c1)\c1ccsc1
InChIInChI=1S/C18H12S2/c1-2-4-17-15(3-1)16-11-13(7-8-18(16)20-17)5-6-14-9-10-19-12-14/h1-12H/b6-5+
InChIKeyOXTBZECROVECDF-AATRIKPKSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.43
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
3-dibenzothiophen-2-ylprop-2-enal
CID 54153197
dibenzothiophene-2-carbaldehyde
CID 641360
2-[(E)-2-nitroethenyl]dibenzothiophene
CID 117059404
3-[(Z)-2-(9-dibenzothiophen-2-yl-6-phenylcarbazol-3-yl)ethenyl]-6,9-diphenylcarbazole
CID 89402541
dibenzothiophene;methane
CID 162233710
N-dibenzothiophen-2-yl-N-[7-[(E)-2-[7-[(E)-2-[7-[di(dibenzothiophen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]dibenzothiophen-2-amine
CID 59246194
2-bromodibenzothiophene;dibenzothiophene
CID 158379286
bis(dibenzothiophene);ethane
CID 143921746
dibenzothiophene;formaldehyde
CID 20556925
6-[(E)-2-(3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaen-6-yl)ethenyl]-3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 135242901
2-naphthalen-2-yloxydibenzothiophene
CID 14642240

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-thiophen-3-ylethenyl]dibenzothiophene?
The IUPAC name of 2-[(E)-2-thiophen-3-ylethenyl]dibenzothiophene (CID 13164306) is 2-[(E)-2-thiophen-3-ylethenyl]dibenzothiophene.
What is the SMILES notation for 2-[(E)-2-thiophen-3-ylethenyl]dibenzothiophene?
The canonical SMILES for 2-[(E)-2-thiophen-3-ylethenyl]dibenzothiophene is C(=C/c1ccc2sc3ccccc3c2c1)\c1ccsc1.
What is the InChIKey of 2-[(E)-2-thiophen-3-ylethenyl]dibenzothiophene?
The InChIKey is OXTBZECROVECDF-AATRIKPKSA-N. The full InChI is InChI=1S/C18H12S2/c1-2-4-17-15(3-1)16-11-13(7-8-18(16)20-17)5-6-14-9-10-19-12-14/h1-12H/b6-5+.
What are the key properties of 2-[(E)-2-thiophen-3-ylethenyl]dibenzothiophene?
2-[(E)-2-thiophen-3-ylethenyl]dibenzothiophene has a molecular weight of 292.43 g/mol, XLogP of 6.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-thiophen-3-ylethenyl]dibenzothiophene is sourced from PubChem (CID 13164306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).