4-[(E)-2-phenylethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

C16H10S3 — CID 122208058

IUPAC4-[(E)-2-phenylethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESC(=C/c1cc2sc3ccsc3c2s1)\c1ccccc1
InChIInChI=1S/C16H10S3/c1-2-4-11(5-3-1)6-7-12-10-14-16(18-12)15-13(19-14)8-9-17-15/h1-10H/b7-6+
InChIKeyIEXXIETWBIDYSA-VOTSOKGWSA-N
MW298.46 g/mol
LogP6.35
Rot. Bonds2

About 4-[(E)-2-phenylethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene

4-[(E)-2-phenylethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (PubChem CID 122208058) has the molecular formula C16H10S3 and a molecular weight of 298.46 g/mol. Its IUPAC name is 4-[(E)-2-phenylethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.

Molecular Properties

Compound Name4-[(E)-2-phenylethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
PubChem CID122208058
Molecular FormulaC16H10S3
Molecular Weight298.46 g/mol
Exact Mass297.99
IUPAC Name4-[(E)-2-phenylethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
SMILESC(=C/c1cc2sc3ccsc3c2s1)\c1ccccc1
InChIInChI=1S/C16H10S3/c1-2-4-11(5-3-1)6-7-12-10-14-16(18-12)15-13(19-14)8-9-17-15/h1-10H/b7-6+
InChIKeyIEXXIETWBIDYSA-VOTSOKGWSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.46
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-phenylethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The IUPAC name of 4-[(E)-2-phenylethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene (CID 122208058) is 4-[(E)-2-phenylethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene.
What is the SMILES notation for 4-[(E)-2-phenylethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The canonical SMILES for 4-[(E)-2-phenylethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is C(=C/c1cc2sc3ccsc3c2s1)\c1ccccc1.
What is the InChIKey of 4-[(E)-2-phenylethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
The InChIKey is IEXXIETWBIDYSA-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H10S3/c1-2-4-11(5-3-1)6-7-12-10-14-16(18-12)15-13(19-14)8-9-17-15/h1-10H/b7-6+.
What are the key properties of 4-[(E)-2-phenylethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene?
4-[(E)-2-phenylethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene has a molecular weight of 298.46 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-phenylethenyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene is sourced from PubChem (CID 122208058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).