2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene

C28H22S4 — CID 10885407

IUPAC2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene
SMILESC(/C=C/c1ccc(/C=C/C=C/c2ccc(/C=C/C=C/c3cccs3)s2)s1)=C\c1cccs1
InChIInChI=1S/C28H22S4/c1(9-23-15-7-21-29-23)3-11-25-17-19-27(31-25)13-5-6-14-28-20-18-26(32-28)12-4-2-10-24-16-8-22-30-24/h1-22H/b9-1+,10-2+,11-3+,12-4+,13-5+,14-6+
InChIKeyWOKGGYBNVNHWOO-XLAKNADDSA-N
MW486.75 g/mol
LogP10.11
Rot. Bonds9

About 2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene

2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene (PubChem CID 10885407) has the molecular formula C28H22S4 and a molecular weight of 486.75 g/mol. Its IUPAC name is 2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene.

Molecular Properties

Compound Name2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene
PubChem CID10885407
Molecular FormulaC28H22S4
Molecular Weight486.75 g/mol
Exact Mass486.06
IUPAC Name2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene
SMILESC(/C=C/c1ccc(/C=C/C=C/c2ccc(/C=C/C=C/c3cccs3)s2)s1)=C\c1cccs1
InChIInChI=1S/C28H22S4/c1(9-23-15-7-21-29-23)3-11-25-17-19-27(31-25)13-5-6-14-28-20-18-26(32-28)12-4-2-10-24-16-8-22-30-24/h1-22H/b9-1+,10-2+,11-3+,12-4+,13-5+,14-6+
InChIKeyWOKGGYBNVNHWOO-XLAKNADDSA-N
XLogP10.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.75
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene with MolForge

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Related Compounds

5-(2-thiophen-2-ylethenyl)thiophene-2-carbaldehyde
CID 71357746
2-methyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene
CID 23543403
5-thiophen-2-ylpenta-2,4-dien-1-ol
CID 54372046
(E)-2-thiophen-2-ylethenol
CID 89297537
2-(4-chlorobut-1-enyl)thiophene
CID 79002392
CID 11426392
CID 11426392
2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine
CID 19937826
methyl (2E,4E,6E)-7-thiophen-2-ylhepta-2,4,6-trienoate
CID 14546239
4-[(E)-2-thiophen-2-ylethenyl]-1,3-dithiole-2-thione
CID 12601876
2-[2-(2-thiophen-2-ylethenylsulfonyl)ethenyl]thiophene
CID 141485128
2-octyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene
CID 59141205
4-[(E)-2-thiophen-2-ylethenyl]pyridine
CID 10932177

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene?
The IUPAC name of 2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene (CID 10885407) is 2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene.
What is the SMILES notation for 2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene?
The canonical SMILES for 2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene is C(/C=C/c1ccc(/C=C/C=C/c2ccc(/C=C/C=C/c3cccs3)s2)s1)=C\c1cccs1.
What is the InChIKey of 2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene?
The InChIKey is WOKGGYBNVNHWOO-XLAKNADDSA-N. The full InChI is InChI=1S/C28H22S4/c1(9-23-15-7-21-29-23)3-11-25-17-19-27(31-25)13-5-6-14-28-20-18-26(32-28)12-4-2-10-24-16-8-22-30-24/h1-22H/b9-1+,10-2+,11-3+,12-4+,13-5+,14-6+.
What are the key properties of 2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene?
2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene has a molecular weight of 486.75 g/mol, XLogP of 10.11, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene is sourced from PubChem (CID 10885407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).