2,5-bis[(E)-1,2-diphenylethenyl]thiophene

C32H24S — CID 12965056

IUPAC2,5-bis[(E)-1,2-diphenylethenyl]thiophene
SMILESC(=C(\c1ccccc1)c1ccc(/C(=C/c2ccccc2)c2ccccc2)s1)\c1ccccc1
InChIInChI=1S/C32H24S/c1-5-13-25(14-6-1)23-29(27-17-9-3-10-18-27)31-21-22-32(33-31)30(28-19-11-4-12-20-28)24-26-15-7-2-8-16-26/h1-24H/b29-23+,30-24+
InChIKeyGZRQXIIZOGVEMZ-HCTXVGCHSA-N
MW440.61 g/mol
LogP8.93
Rot. Bonds6

About 2,5-bis[(E)-1,2-diphenylethenyl]thiophene

2,5-bis[(E)-1,2-diphenylethenyl]thiophene (PubChem CID 12965056) has the molecular formula C32H24S and a molecular weight of 440.61 g/mol. Its IUPAC name is 2,5-bis[(E)-1,2-diphenylethenyl]thiophene.

Molecular Properties

Compound Name2,5-bis[(E)-1,2-diphenylethenyl]thiophene
PubChem CID12965056
Molecular FormulaC32H24S
Molecular Weight440.61 g/mol
Exact Mass440.16
IUPAC Name2,5-bis[(E)-1,2-diphenylethenyl]thiophene
SMILESC(=C(\c1ccccc1)c1ccc(/C(=C/c2ccccc2)c2ccccc2)s1)\c1ccccc1
InChIInChI=1S/C32H24S/c1-5-13-25(14-6-1)23-29(27-17-9-3-10-18-27)31-21-22-32(33-31)30(28-19-11-4-12-20-28)24-26-15-7-2-8-16-26/h1-24H/b29-23+,30-24+
InChIKeyGZRQXIIZOGVEMZ-HCTXVGCHSA-N
XLogP8.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.61
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 173126547
CID 173126547
CID 172843956
CID 172843956
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091
1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106
1,2-diphenylethenylbenzene;furan
CID 175372951
2-[2-[(E)-1,2-diphenylethenyl]phenyl]propan-2-amine
CID 102527150
1-chloro-2-[(E)-1,2-diphenylethenyl]benzene
CID 175564265
1,2-diphenylethenylbenzene;2-methylphenol
CID 159908422
1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene
CID 102283566
1,2-diphenylethenylbenzene;quinoxaline
CID 175322673

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(E)-1,2-diphenylethenyl]thiophene?
The IUPAC name of 2,5-bis[(E)-1,2-diphenylethenyl]thiophene (CID 12965056) is 2,5-bis[(E)-1,2-diphenylethenyl]thiophene.
What is the SMILES notation for 2,5-bis[(E)-1,2-diphenylethenyl]thiophene?
The canonical SMILES for 2,5-bis[(E)-1,2-diphenylethenyl]thiophene is C(=C(\c1ccccc1)c1ccc(/C(=C/c2ccccc2)c2ccccc2)s1)\c1ccccc1.
What is the InChIKey of 2,5-bis[(E)-1,2-diphenylethenyl]thiophene?
The InChIKey is GZRQXIIZOGVEMZ-HCTXVGCHSA-N. The full InChI is InChI=1S/C32H24S/c1-5-13-25(14-6-1)23-29(27-17-9-3-10-18-27)31-21-22-32(33-31)30(28-19-11-4-12-20-28)24-26-15-7-2-8-16-26/h1-24H/b29-23+,30-24+.
What are the key properties of 2,5-bis[(E)-1,2-diphenylethenyl]thiophene?
2,5-bis[(E)-1,2-diphenylethenyl]thiophene has a molecular weight of 440.61 g/mol, XLogP of 8.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(E)-1,2-diphenylethenyl]thiophene is sourced from PubChem (CID 12965056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).