2-[(E)-prop-1-enyl]-5-[5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene

C22H18S4 — CID 102323927

IUPAC2-[(E)-prop-1-enyl]-5-[5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
SMILESC/C=C/c1ccc(-c2ccc(-c3ccc(-c4ccc(/C=C/C)s4)s3)s2)s1
InChIInChI=1S/C22H18S4/c1-3-5-15-7-9-17(23-15)19-11-13-21(25-19)22-14-12-20(26-22)18-10-8-16(24-18)6-4-2/h3-14H,1-2H3/b5-3+,6-4+
InChIKeyWGYWXTKAPANKHS-GGWOSOGESA-N
MW410.65 g/mol
LogP9.00
Rot. Bonds5

About 2-[(E)-prop-1-enyl]-5-[5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene

2-[(E)-prop-1-enyl]-5-[5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (PubChem CID 102323927) has the molecular formula C22H18S4 and a molecular weight of 410.65 g/mol. Its IUPAC name is 2-[(E)-prop-1-enyl]-5-[5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-[(E)-prop-1-enyl]-5-[5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
PubChem CID102323927
Molecular FormulaC22H18S4
Molecular Weight410.65 g/mol
Exact Mass410.03
IUPAC Name2-[(E)-prop-1-enyl]-5-[5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
SMILESC/C=C/c1ccc(-c2ccc(-c3ccc(-c4ccc(/C=C/C)s4)s3)s2)s1
InChIInChI=1S/C22H18S4/c1-3-5-15-7-9-17(23-15)19-11-13-21(25-19)22-14-12-20(26-22)18-10-8-16(24-18)6-4-2/h3-14H,1-2H3/b5-3+,6-4+
InChIKeyWGYWXTKAPANKHS-GGWOSOGESA-N
XLogP9.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.65
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-prop-1-enyl]-5-[5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The IUPAC name of 2-[(E)-prop-1-enyl]-5-[5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (CID 102323927) is 2-[(E)-prop-1-enyl]-5-[5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-[(E)-prop-1-enyl]-5-[5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-[(E)-prop-1-enyl]-5-[5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is C/C=C/c1ccc(-c2ccc(-c3ccc(-c4ccc(/C=C/C)s4)s3)s2)s1.
What is the InChIKey of 2-[(E)-prop-1-enyl]-5-[5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The InChIKey is WGYWXTKAPANKHS-GGWOSOGESA-N. The full InChI is InChI=1S/C22H18S4/c1-3-5-15-7-9-17(23-15)19-11-13-21(25-19)22-14-12-20(26-22)18-10-8-16(24-18)6-4-2/h3-14H,1-2H3/b5-3+,6-4+.
What are the key properties of 2-[(E)-prop-1-enyl]-5-[5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
2-[(E)-prop-1-enyl]-5-[5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene has a molecular weight of 410.65 g/mol, XLogP of 9.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-prop-1-enyl]-5-[5-[5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is sourced from PubChem (CID 102323927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).