2-[3,4-bis[bis(4-fluorophenyl)methylidene]-2-thiophen-2-ylcyclobuten-1-yl]thiophene

C38H22F4S2 — CID 54762615

IUPAC2-[3,4-bis[bis(4-fluorophenyl)methylidene]-2-thiophen-2-ylcyclobuten-1-yl]thiophene
SMILESFc1ccc(C(=C2C(=C(c3ccc(F)cc3)c3ccc(F)cc3)C(c3cccs3)=C2c2cccs2)c2ccc(F)cc2)cc1
InChIInChI=1S/C38H22F4S2/c39-27-13-5-23(6-14-27)33(24-7-15-28(40)16-8-24)37-35(31-3-1-21-43-31)36(32-4-2-22-44-32)38(37)34(25-9-17-29(41)18-10-25)26-11-19-30(42)20-12-26/h1-22H
InChIKeyFBBWCDXOFOPJRH-UHFFFAOYSA-N
MW618.72 g/mol
LogP11.29
Rot. Bonds6

About 2-[3,4-bis[bis(4-fluorophenyl)methylidene]-2-thiophen-2-ylcyclobuten-1-yl]thiophene

2-[3,4-bis[bis(4-fluorophenyl)methylidene]-2-thiophen-2-ylcyclobuten-1-yl]thiophene (PubChem CID 54762615) has the molecular formula C38H22F4S2 and a molecular weight of 618.72 g/mol. Its IUPAC name is 2-[3,4-bis[bis(4-fluorophenyl)methylidene]-2-thiophen-2-ylcyclobuten-1-yl]thiophene.

Molecular Properties

Compound Name2-[3,4-bis[bis(4-fluorophenyl)methylidene]-2-thiophen-2-ylcyclobuten-1-yl]thiophene
PubChem CID54762615
Molecular FormulaC38H22F4S2
Molecular Weight618.72 g/mol
Exact Mass618.11
IUPAC Name2-[3,4-bis[bis(4-fluorophenyl)methylidene]-2-thiophen-2-ylcyclobuten-1-yl]thiophene
SMILESFc1ccc(C(=C2C(=C(c3ccc(F)cc3)c3ccc(F)cc3)C(c3cccs3)=C2c2cccs2)c2ccc(F)cc2)cc1
InChIInChI=1S/C38H22F4S2/c39-27-13-5-23(6-14-27)33(24-7-15-28(40)16-8-24)37-35(31-3-1-21-43-31)36(32-4-2-22-44-32)38(37)34(25-9-17-29(41)18-10-25)26-11-19-30(42)20-12-26/h1-22H
InChIKeyFBBWCDXOFOPJRH-UHFFFAOYSA-N
XLogP11.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.72
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis[bis(4-fluorophenyl)methylidene]-2-thiophen-2-ylcyclobuten-1-yl]thiophene?
The IUPAC name of 2-[3,4-bis[bis(4-fluorophenyl)methylidene]-2-thiophen-2-ylcyclobuten-1-yl]thiophene (CID 54762615) is 2-[3,4-bis[bis(4-fluorophenyl)methylidene]-2-thiophen-2-ylcyclobuten-1-yl]thiophene.
What is the SMILES notation for 2-[3,4-bis[bis(4-fluorophenyl)methylidene]-2-thiophen-2-ylcyclobuten-1-yl]thiophene?
The canonical SMILES for 2-[3,4-bis[bis(4-fluorophenyl)methylidene]-2-thiophen-2-ylcyclobuten-1-yl]thiophene is Fc1ccc(C(=C2C(=C(c3ccc(F)cc3)c3ccc(F)cc3)C(c3cccs3)=C2c2cccs2)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[3,4-bis[bis(4-fluorophenyl)methylidene]-2-thiophen-2-ylcyclobuten-1-yl]thiophene?
The InChIKey is FBBWCDXOFOPJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22F4S2/c39-27-13-5-23(6-14-27)33(24-7-15-28(40)16-8-24)37-35(31-3-1-21-43-31)36(32-4-2-22-44-32)38(37)34(25-9-17-29(41)18-10-25)26-11-19-30(42)20-12-26/h1-22H.
What are the key properties of 2-[3,4-bis[bis(4-fluorophenyl)methylidene]-2-thiophen-2-ylcyclobuten-1-yl]thiophene?
2-[3,4-bis[bis(4-fluorophenyl)methylidene]-2-thiophen-2-ylcyclobuten-1-yl]thiophene has a molecular weight of 618.72 g/mol, XLogP of 11.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis[bis(4-fluorophenyl)methylidene]-2-thiophen-2-ylcyclobuten-1-yl]thiophene is sourced from PubChem (CID 54762615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).