2-(7-thiophen-2-yl-2-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl)thiophene

C19H14S2 — CID 90219091

IUPAC2-(7-thiophen-2-yl-2-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl)thiophene
SMILESC1=CC2=C(c3cccs3)C=CC=C(C2)C(c2cccs2)=C1
InChIInChI=1S/C19H14S2/c1-5-14-13-15(16(7-1)18-9-3-11-20-18)6-2-8-17(14)19-10-4-12-21-19/h1-12H,13H2
InChIKeyIWVVIGBLGSIZQX-UHFFFAOYSA-N
MW306.46 g/mol
LogP6.10
Rot. Bonds2

About 2-(7-thiophen-2-yl-2-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl)thiophene

2-(7-thiophen-2-yl-2-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl)thiophene (PubChem CID 90219091) has the molecular formula C19H14S2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 2-(7-thiophen-2-yl-2-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl)thiophene.

Molecular Properties

Compound Name2-(7-thiophen-2-yl-2-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl)thiophene
PubChem CID90219091
Molecular FormulaC19H14S2
Molecular Weight306.46 g/mol
Exact Mass306.05
IUPAC Name2-(7-thiophen-2-yl-2-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl)thiophene
SMILESC1=CC2=C(c3cccs3)C=CC=C(C2)C(c2cccs2)=C1
InChIInChI=1S/C19H14S2/c1-5-14-13-15(16(7-1)18-9-3-11-20-18)6-2-8-17(14)19-10-4-12-21-19/h1-12H,13H2
InChIKeyIWVVIGBLGSIZQX-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.46
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-thiophen-2-yl-2-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl)thiophene?
The IUPAC name of 2-(7-thiophen-2-yl-2-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl)thiophene (CID 90219091) is 2-(7-thiophen-2-yl-2-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl)thiophene.
What is the SMILES notation for 2-(7-thiophen-2-yl-2-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl)thiophene?
The canonical SMILES for 2-(7-thiophen-2-yl-2-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl)thiophene is C1=CC2=C(c3cccs3)C=CC=C(C2)C(c2cccs2)=C1.
What is the InChIKey of 2-(7-thiophen-2-yl-2-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl)thiophene?
The InChIKey is IWVVIGBLGSIZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14S2/c1-5-14-13-15(16(7-1)18-9-3-11-20-18)6-2-8-17(14)19-10-4-12-21-19/h1-12H,13H2.
What are the key properties of 2-(7-thiophen-2-yl-2-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl)thiophene?
2-(7-thiophen-2-yl-2-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl)thiophene has a molecular weight of 306.46 g/mol, XLogP of 6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-thiophen-2-yl-2-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl)thiophene is sourced from PubChem (CID 90219091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).