(4E)-7-fluoro-4-(7-fluoroindeno[2,3-b]thiophen-4-ylidene)indeno[2,1-b]thiophene

C22H10F2S2 — CID 118208402

IUPAC(4E)-7-fluoro-4-(7-fluoroindeno[2,3-b]thiophen-4-ylidene)indeno[2,1-b]thiophene
SMILESFc1ccc2c(c1)-c1ccsc1/C2=C1\c2ccc(F)cc2-c2ccsc21
InChIInChI=1S/C22H10F2S2/c23-11-1-3-13-17(9-11)15-5-7-25-21(15)19(13)20-14-4-2-12(24)10-18(14)16-6-8-26-22(16)20/h1-10H/b20-19+
InChIKeyCEIQKIUWBBDEOV-FMQUCBEESA-N
MW376.45 g/mol
LogP7.06
Rot. Bonds

About (4E)-7-fluoro-4-(7-fluoroindeno[2,3-b]thiophen-4-ylidene)indeno[2,1-b]thiophene

(4E)-7-fluoro-4-(7-fluoroindeno[2,3-b]thiophen-4-ylidene)indeno[2,1-b]thiophene (PubChem CID 118208402) has the molecular formula C22H10F2S2 and a molecular weight of 376.45 g/mol. Its IUPAC name is (4E)-7-fluoro-4-(7-fluoroindeno[2,3-b]thiophen-4-ylidene)indeno[2,1-b]thiophene.

Molecular Properties

Compound Name(4E)-7-fluoro-4-(7-fluoroindeno[2,3-b]thiophen-4-ylidene)indeno[2,1-b]thiophene
PubChem CID118208402
Molecular FormulaC22H10F2S2
Molecular Weight376.45 g/mol
Exact Mass376.02
IUPAC Name(4E)-7-fluoro-4-(7-fluoroindeno[2,3-b]thiophen-4-ylidene)indeno[2,1-b]thiophene
SMILESFc1ccc2c(c1)-c1ccsc1/C2=C1\c2ccc(F)cc2-c2ccsc21
InChIInChI=1S/C22H10F2S2/c23-11-1-3-13-17(9-11)15-5-7-25-21(15)19(13)20-14-4-2-12(24)10-18(14)16-6-8-26-22(16)20/h1-10H/b20-19+
InChIKeyCEIQKIUWBBDEOV-FMQUCBEESA-N
XLogP7.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-7-fluoro-4-(7-fluoroindeno[2,3-b]thiophen-4-ylidene)indeno[2,1-b]thiophene?
The IUPAC name of (4E)-7-fluoro-4-(7-fluoroindeno[2,3-b]thiophen-4-ylidene)indeno[2,1-b]thiophene (CID 118208402) is (4E)-7-fluoro-4-(7-fluoroindeno[2,3-b]thiophen-4-ylidene)indeno[2,1-b]thiophene.
What is the SMILES notation for (4E)-7-fluoro-4-(7-fluoroindeno[2,3-b]thiophen-4-ylidene)indeno[2,1-b]thiophene?
The canonical SMILES for (4E)-7-fluoro-4-(7-fluoroindeno[2,3-b]thiophen-4-ylidene)indeno[2,1-b]thiophene is Fc1ccc2c(c1)-c1ccsc1/C2=C1\c2ccc(F)cc2-c2ccsc21.
What is the InChIKey of (4E)-7-fluoro-4-(7-fluoroindeno[2,3-b]thiophen-4-ylidene)indeno[2,1-b]thiophene?
The InChIKey is CEIQKIUWBBDEOV-FMQUCBEESA-N. The full InChI is InChI=1S/C22H10F2S2/c23-11-1-3-13-17(9-11)15-5-7-25-21(15)19(13)20-14-4-2-12(24)10-18(14)16-6-8-26-22(16)20/h1-10H/b20-19+.
What are the key properties of (4E)-7-fluoro-4-(7-fluoroindeno[2,3-b]thiophen-4-ylidene)indeno[2,1-b]thiophene?
(4E)-7-fluoro-4-(7-fluoroindeno[2,3-b]thiophen-4-ylidene)indeno[2,1-b]thiophene has a molecular weight of 376.45 g/mol, XLogP of 7.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-7-fluoro-4-(7-fluoroindeno[2,3-b]thiophen-4-ylidene)indeno[2,1-b]thiophene is sourced from PubChem (CID 118208402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).